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10,12-Tricosadiynoic acid, methyl ester

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

10,12-Tricosadiynoic acid, methyl ester
SpectraBase Compound ID 4gPE8MCJyl4
InChI InChI=1S/C24H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-2/h3-11,16-23H2,1-2H3
InChIKey BZHUUTOAKXXTMA-UHFFFAOYSA-N
Mol Weight 360.6 g/mol
Molecular Formula C24H40O2
Exact Mass 360.302831 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BksiOUyNFqJ
Name 10,12-Tricosadiynoic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.302830526 u
Formula C24H40O2
InChI InChI=1S/C24H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-2/h3-11,16-23H2,1-2H3
InChIKey BZHUUTOAKXXTMA-UHFFFAOYSA-N
Molecular Weight 360.582 g/mol
SMILES C(=O)(OC)CCCCCCCCC#CC#CCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863694