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4-Pentenoic acid, 2-methyl-, tetradecyl ester

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

4-Pentenoic acid, 2-methyl-, tetradecyl ester
SpectraBase Compound ID 4pbh5sWHxLX
InChI InChI=1S/C20H38O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-22-20(21)19(3)17-5-2/h5,19H,2,4,6-18H2,1,3H3
InChIKey AITVUERWEKFFAB-UHFFFAOYSA-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 Aun5ldBVLC2
Name 4-Pentenoic acid, 2-methyl-, tetradecyl 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/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-22-20(21)19(3)17-5-2/h5,19H,2,4,6-18H2,1,3H3
InChIKey AITVUERWEKFFAB-UHFFFAOYSA-N
Molecular Weight 310.522 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCC)=O)C)C=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940663