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3-Octenoic acid, dodecyl ester

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

3-Octenoic acid, dodecyl ester
SpectraBase Compound ID KnbzAI5ed7J
InChI InChI=1S/C20H38O2/c1-3-5-7-9-10-11-12-13-15-17-19-22-20(21)18-16-14-8-6-4-2/h14,16H,3-13,15,17-19H2,1-2H3/b16-14+
InChIKey ARQAFFCEYWRMIC-JQIJEIRASA-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 H0jbVxAFzbk
Name 3-Octenoic acid, dodecyl ester
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/c1-3-5-7-9-10-11-12-13-15-17-19-22-20(21)18-16-14-8-6-4-2/h14,16H,3-13,15,17-19H2,1-2H3/b16-14+
InChIKey ARQAFFCEYWRMIC-JQIJEIRASA-N
Molecular Weight 310.522 g/mol
SMILES C(\C=C\CCCC)C(OCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.88339