✦ LIBER ✦

Structure Determination of Regioisomeric Fused Heterocycles by the Combined Use of 2D NMR Experiments and GIAO DFT 13C Chemical Shifts

✍ Scribed by Shamil Latypov; Alsu Balandina; Marco Boccalini; Alessandra Matteucci; Konstantin Usachev; Stefano Chimichi

Publisher: John Wiley and Sons
Year: 2008
Tongue: English
Weight: 276 KB
Volume: 2008
Category: Article
ISSN: 1434-193X
DOI: 10.1002/ejoc.200800550

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

The combined use of 2D NMR correlation experiments and GIAO DFT ^13^C NMR chemical shift calculations has allowed a reliable and simple structural determination of regioisomeric heterocyclic systems that originate from the reactions of quinolinone or coumarin derivatives with hydroxylamine. In general, the proposed method may find application in the regioisomeric structural determination of heterocyclic compounds. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)

📜 SIMILAR VOLUMES

GIAO DFT 13C/15N chemical shifts in regi

GIAO DFT 13C/15N chemical shifts in regioisomeric structure determination of fused pyrazoles

✍ Stefano Chimichi; Marco Boccalini; Alessandra Matteucci; Sergey V. Kharlamov; Sh 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 181 KB

## Abstract The combined use of two‐dimensional NMR correlation experiments and gauge including atomic orbital density functional theory in ^13^C NMR chemical shift (CS) calculations allowed reliable and simple structural determination of regioisomeric heterocyclic systems that originate from the r

Complete Signal Assignment of the 13C-NM

Complete Signal Assignment of the 13C-NMR Spectra and Structure Determination of Corrinoids by 2D-INADEQUATE and 2D 13C, 1H-NMR Chemical Shift Correlation Using nJ(C,H)

✍ Dr. Reinhard Benn; Dr. Richard Mynott 📂 Article 📅 1985 🏛 John Wiley and Sons 🌐 English ⚖ 345 KB 👁 2 views

Determination of the structure of 3-acyl

Determination of the structure of 3-acylmethylene-2,3-dihydrofurans with the aid of 2D NOESY Spectra: 1H and 13C NMR chemical shift assignment

✍ J. G. Sośnicki; Z. Wichert-Tur 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 47 KB 👁 2 views

The 2D NOESY method was used to determine the E/Z configuration and s-cis/s-trans conformation in a series of 3acylmethylene-2,2,3-trisubstituted-2,3-dihydrofurans. The assignments of 1 H and 13 C NMR chemical shifts and J 13 C, 1 H) coupling constants are presented.

Distribution of erythro and threo forms

Distribution of erythro and threo forms of different types of β-O-4 structures in aspen lignin by 13C NMR using the 2D INADEQUATE experiment

✍ Michel Bardet; Danielle Robert; Knut Lundquist; Sverker von Unge 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 220 KB 👁 1 views

CarbonÈcarbon connectivity spectra of 13C-enriched aspen lignin recorded using the 2D INADE-QUATE experiment revealed cross peaks which can be assigned to four types of arylglycerol b-aryl ethers (b-O-4 structures) : erythro forms of arylglycerol b-syringyl ethers, threo forms of arylglycerol b-syri

ChemInform Abstract: 1H and 13C NMR Stru

ChemInform Abstract: 1H and 13C NMR Structural Studies on Cellulose and Polysaccharide Derivatives with Carbonyl Groups as a Sensitive Probe. Part 12. Pullulan Nonaacetate: Assignment of Chemical Shifts of the Acetyl Protons and Acetyl Carbonyl Carbons by 2D-NMR Spectroscopy.

✍ Y. TEZUKA 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 28 KB 👁 2 views