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Valeric acid, 2-pentadecyl ester

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

Valeric acid, 2-pentadecyl ester
SpectraBase Compound ID 8dhXkCFHVb3
InChI InChI=1S/C20H40O2/c1-4-6-8-9-10-11-12-13-14-15-16-17-19(3)22-20(21)18-7-5-2/h19H,4-18H2,1-3H3
InChIKey ZFCYCFIKRKYPSU-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C20H40O2
Exact Mass 312.302831 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FMXfzjK4BGc
Name Valeric acid, 2-pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.302830526 u
Formula C20H40O2
InChI InChI=1S/C20H40O2/c1-4-6-8-9-10-11-12-13-14-15-16-17-19(3)22-20(21)18-7-5-2/h19H,4-18H2,1-3H3
InChIKey ZFCYCFIKRKYPSU-UHFFFAOYSA-N
Molecular Weight 312.538 g/mol
SMILES C(CC(OC(CCCCCCCCCCCCC)C)=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925897