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Eicosa-11-yn-13-trans-enoic acid, pyrrolidide

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

Eicosa-11-yn-13-trans-enoic acid, pyrrolidide
SpectraBase Compound ID IwKE1wtWqoU
InChI InChI=1S/C24H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)25-22-19-20-23-25/h7-8H,2-6,11-23H2,1H3/b8-7+
InChIKey GTJZUJHSXZUPES-BQYQJAHWSA-N
Mol Weight 359.6 g/mol
Molecular Formula C24H41NO
Exact Mass 359.318815 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BNdm6tFer4q
Name Eicosa-11-yn-13-trans-enoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.318814943 u
Formula C24H41NO
InChI InChI=1S/C24H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)25-22-19-20-23-25/h7-8H,2-6,11-23H2,1H3/b8-7+
InChIKey GTJZUJHSXZUPES-BQYQJAHWSA-N
Molecular Weight 359.598 g/mol
SMILES C(N1CCCC1)(CCCCCCCCCC#C\C=C\CCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939303