## Abstract A reliable method of automatically assigning one‐dimensional proton spectra is described. The method relies on the alignment of the proton spectrum with an associated heteronuclear single‐quantum coherence (HSQC) spectrum, transferring the stoichiometry and couplings to the HSQC. The HS
Dicondensed indolinobenzospiropyrans as precursors of thermo- and photochromic spiropyrans. Part II: assignment of 1H and 13C NMR spectra
✍ Scribed by Sam-Rok Keum; Su-Mi Ahn; Se-Jung Roh; Su-Jin Park; Sung-Hoon Kim; Kwangnak Koh
- Publisher
- John Wiley and Sons
- Year
- 2005
- Tongue
- English
- Weight
- 106 KB
- Volume
- 44
- Category
- Article
- ISSN
- 0749-1581
- DOI
- 10.1002/mrc.1718
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✦ Synopsis
Abstract
The ^1^H and ^13^C NMR spectra of dicondensed indolinobenzospiropyrans as precursors of thermo‐ and photochromic spiropyrans, DC1–DC5, were completely assigned. Especially, the ^1^H assignment and coupling characteristics of the diastereotopic protons at the carbon‐3 position of the benzopyran rings were achieved by conducting ^1^H–^1^H COSY and nOe experiments. The dihedral angles (θ~1~, θ~2~ and θ~3~) calculated from the experimental values of the vicinal coupling constants (^3^J) of DC5 are in good agreement with the observed values in the solid state. All of the carbons in the DC dye molecules were investigated through a combination of heteronuclear 2D‐shift correlation spectroscopy (HETCOR) and DEPT135. Copyright © 2005 John Wiley & Sons, Ltd.
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