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Hexacosa-17-yn-19-trans-enoic acid, pyrrolidide

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

Hexacosa-17-yn-19-trans-enoic acid, pyrrolidide
SpectraBase Compound ID AgaC79eEKJ8
InChI InChI=1S/C30H53NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-30(32)31-28-25-26-29-31/h7-8H,2-6,11-29H2,1H3/b8-7+
InChIKey OWLKWFZSWCGONS-BQYQJAHWSA-N
Mol Weight 443.8 g/mol
Molecular Formula C30H53NO
Exact Mass 443.412715 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 63FniY0E2Hd
Name Hexacosa-17-yn-19-trans-enoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.412715330 u
Formula C30H53NO
InChI InChI=1S/C30H53NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-30(32)31-28-25-26-29-31/h7-8H,2-6,11-29H2,1H3/b8-7+
InChIKey OWLKWFZSWCGONS-BQYQJAHWSA-N
Molecular Weight 443.760 g/mol
SMILES C(N1CCCC1)(CCCCCCCCCCCCCCCC#C\C=C\CCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90309