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Octadeca-9-yn-11-trans-enoic acid, pyrrolidide

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

Octadeca-9-yn-11-trans-enoic acid, pyrrolidide
SpectraBase Compound ID 43TOHADpiXT
InChI InChI=1S/C22H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)23-20-17-18-21-23/h7-8H,2-6,11-21H2,1H3/b8-7+
InChIKey STYLINZJPVXEPG-BQYQJAHWSA-N
Mol Weight 331.5 g/mol
Molecular Formula C22H37NO
Exact Mass 331.287515 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IKkoSpzcQFv
Name Octadeca-9-yn-11-trans-enoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.287514814 u
Formula C22H37NO
InChI InChI=1S/C22H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)23-20-17-18-21-23/h7-8H,2-6,11-21H2,1H3/b8-7+
InChIKey STYLINZJPVXEPG-BQYQJAHWSA-N
Molecular Weight 331.544 g/mol
SMILES C(N1CCCC1)(CCCCCCCC#C\C=C\CCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97274