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(E)-2-pentacosenoic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(E)-2-pentacosenoic acid
SpectraBase Compound ID 5DjsYMsSQa3
InChI InChI=1S/C25H48O2/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(26)27/h23-24H,2-22H2,1H3,(H,26,27)/b24-23+
InChIKey BKYOGHHPWJADCZ-WCWDXBQESA-N
Mol Weight 380.7 g/mol
Molecular Formula C25H48O2
Exact Mass 380.365431 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F31RxTCuA2A
Name (E)-2-Pentacosenoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.365430784 u
Formula C25H48O2
InChI InChI=1S/C25H48O2/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(26)27/h23-24H,2-22H2,1H3,(H,26,27)/b24-23+
InChIKey BKYOGHHPWJADCZ-WCWDXBQESA-N
Molecular Weight 380.657 g/mol
SMILES C(\C=C\CCCCCCCCCCCCCCCCCCCCCC)(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951651