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10,12-Tricosadiynoic acid

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

10,12-Tricosadiynoic acid
SpectraBase Compound ID D1PPYyzflKr
InChI InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-10,15-22H2,1H3,(H,24,25)
InChIKey DIEDVCMBPCRJFQ-UHFFFAOYSA-N
Mol Weight 346.6 g/mol
Molecular Formula C23H38O2
Exact Mass 346.28718 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FEl886ZHuGv
Name 10,12-Tricosadiynoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.287180462 u
Formula C23H38O2
InChI InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-10,15-22H2,1H3,(H,24,25)
InChIKey DIEDVCMBPCRJFQ-UHFFFAOYSA-N
Molecular Weight 346.555 g/mol
SMILES C(O)(CCCCCCCCC#CC#CCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862178