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Docosa-13-yn-15-trans-enoic acid, pyrrolidide

View entire compound with spectra: 1 NMR, and 1 FTIR

Docosa-13-yn-15-trans-enoic acid, pyrrolidide
SpectraBase Compound ID JYTPeunV9Q6
InChI InChI=1S/C26H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28)27-24-21-22-25-27/h7-8H,2-6,11-25H2,1H3/b8-7+
InChIKey NIQKQGTUNHBEJT-BQYQJAHWSA-N
Mol Weight 387.7 g/mol
Molecular Formula C26H45NO
Exact Mass 387.350115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8k0BXhDaztA
Name Docosa-13-yn-15-trans-enoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.350115072 u
Formula C26H45NO
InChI InChI=1S/C26H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28)27-24-21-22-25-27/h7-8H,2-6,11-25H2,1H3/b8-7+
InChIKey NIQKQGTUNHBEJT-BQYQJAHWSA-N
Molecular Weight 387.652 g/mol
SMILES C(N1CCCC1)(CCCCCCCCCCCC#C\C=C\CCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876518