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cis-13-Eicosenoic acid

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

cis-13-Eicosenoic acid
SpectraBase Compound ID 2EkzLpz02Md
InChI InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7-
InChIKey URXZXNYJPAJJOQ-FPLPWBNLSA-N
Mol Weight 310.5 g/mol
Molecular Formula C20H38O2
Exact Mass 310.28718 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6f8exfzsvH1
Name cis-13-Eicosenoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.287180462 u
Formula C20H38O2
InChI InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7-
InChIKey URXZXNYJPAJJOQ-FPLPWBNLSA-N
Molecular Weight 310.522 g/mol
SMILES C(=O)(O)CCCCCCCCCCC\C=C/CCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947532