✦ LIBER ✦

Correlation of oxygen-17 substituent-induced chemical shifts: Meta- and para-substituted methyl benzoates

✍ Scribed by Otto Exner; Hans Dahn; Péter Péchy

Publisher: John Wiley and Sons
Year: 1992
Tongue: English
Weight: 542 KB
Volume: 30
Category: Article
ISSN: 0749-1581
DOI: 10.1002/mrc.1260300505

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

Oxygen‐17 NMR spectra of 45 substituted methyl benzoates in acetonitrile were measured at natural abundance. The substituent‐induced chemical shifts (SCS) of the carbonyl oxygen correlate well with the σ~m~ and σ substituent constants in two separate correlations for meta and para derivatives; principal component analysis (PCA) is only slightly better [particularly for the N(CH~3~)~2~ substituent]. The ^17^O SCS generally depend on the same factors as the ^13^C SCS of the β‐carbon of alkenes, provided comparison is made between compounds of similar polarity. SCS of the methoxyl oxygen depend less precisely on σ~m~ or σ~p~, with some unexplained deviations.

📜 SIMILAR VOLUMES

Correlation of carbon-13 substituent-ind

Correlation of carbon-13 substituent-induced chemical shifts: Meta- and para-substituted methyl benzoates

✍ Miloš Buděšńský; Otto Exner 📂 Article 📅 1989 🏛 John Wiley and Sons 🌐 English ⚖ 551 KB

## Carbon -13 NMR spectra are reported for 69 substituted methyl benzoates in deuteriochloroform or in its mixture with dimethyl sulphoxide-d, . The substituent-induced chemical shifts (SCS) of the CO carbon correlate poorly with dual substituent parameters (DSP) in all possible modifications, and

Correlation of carbon-13 substituent-ind

Correlation of carbon-13 substituent-induced chemical shifts revisited: Meta- and para-substituted benzonitriles

✍ Otto Exner; Miloš Buděšínský 📂 Article 📅 1989 🏛 John Wiley and Sons 🌐 English ⚖ 872 KB

17O NMR spectroscopy: Effect of substitu

17O NMR spectroscopy: Effect of substituents on chemical shifts for p-substituted benzoic acids, methyl benzoates, cinnamic acids and methyl cinnamates

✍ P. Balakrishnan; A. L. Baumstark; D. W. Boykin 📂 Article 📅 1984 🏛 John Wiley and Sons 🌐 English ⚖ 422 KB

An Analysis of 1H, 13C and 15N NMR Subst

An Analysis of 1H, 13C and 15N NMR Substituent Chemical Shifts in para- and meta-Substituted (Z)-Phenylhydrazones of 3-Benzoyl-5-phenyl-1,2,4-oxadiazole

✍ Elisabetta Mezzina; Domenico Spinelli; Liliana Lamartina; Silvestre Buscemi; Vin 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 240 KB 👁 2 views

Substituent-induced chemical shifts of a

Substituent-induced chemical shifts of aromatic carbon centres in a series of non-acetylated and peracetylated Para-substituted aryl 2-N-acetamido-2-deoxy-β-D-glucopyranosides

✍ René Roy; François D. Tropper; Antony J. Williams 📂 Article 📅 1995 🏛 John Wiley and Sons 🌐 English ⚖ 340 KB

## Abstract The additive behaviour generally observed for the substituent‐induced chemical shifts (SCS) for disubstituted benzenes was examined for a series of aryl 2‐__N__‐acetamido‐2‐deoxy‐β‐D‐glucopyranosides having a wide range of __para__ substituents with varying possible electronic contribut