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Letters in Organic Chemistry

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ISSN (Print): 1570-1786
ISSN (Online): 1875-6255

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TECHNICAL NOTE

Simplified Procedure for Application of DBE, the Rule of 13 & Nitrogen Rule in Structure Elucidation of Organic Compounds

Author(s): Rachna Kathal, Shivangi Sharma, Kuldeep Singh* and Shivendra Singh*

Volume 20, Issue 3, 2023

Published on: 19 October, 2022

Page: [276 - 285] Pages: 10

DOI: 10.2174/1570178619666220902120311

Price: $65

Abstract

Determination of the exact structure of any compound is an extremely critical task. Primarily organic chemistry relies on NMR, IR & Mass spectrometric data. Authors have experienced that introduction of structure elucidation in undergraduate courses and postgraduate courses are helpful for students later in their research careers. Based on our experience, this article discusses double bond equivalents, the rule of 13 and the nitrogen rule. We have compared the result of these three rules with real spectroscopic data. This article demonstrates the applicability of double bond equivalents, the rule of 13 and the nitrogen rule in solving compound structures using spectroscopic data. Based on the availability of molecular weight or molecular formula, we can predict the possible structure of any organic compound using these concepts. In addition, if we have spectroscopic data like NMR, IR, Mass spectrometry data and UV spectrophotometry data, we can easily confirm the exact structure. This article will be critical for all the organic chemist for the structure elucidation of organic molecules; however, several spectroscopic data is still required for analyzing the exact structure of any molecule.

Keywords: Structure elucidation, double bond equivalents, the rule of 13, the nitrogen rule.

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