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Tetracosa-15-yn-17-trans-enoic acid, pyrrolidide

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

Tetracosa-15-yn-17-trans-enoic acid, pyrrolidide
SpectraBase Compound ID KNIMg4oC8BV
InChI InChI=1S/C28H49NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(30)29-26-23-24-27-29/h7-8H,2-6,11-27H2,1H3/b8-7+
InChIKey OSLSWWNDSJQIFR-BQYQJAHWSA-N
Mol Weight 415.7 g/mol
Molecular Formula C28H49NO
Exact Mass 415.381415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CE7ZEC7FpNS
Name Tetracosa-15-yn-17-trans-enoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.381415201 u
Formula C28H49NO
InChI InChI=1S/C28H49NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(30)29-26-23-24-27-29/h7-8H,2-6,11-27H2,1H3/b8-7+
InChIKey OSLSWWNDSJQIFR-BQYQJAHWSA-N
Molecular Weight 415.706 g/mol
SMILES C(N1CCCC1)(CCCCCCCCCCCCCC#C\C=C\CCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907822