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Pentanoic acid, heptadecyl ester

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

Pentanoic acid, heptadecyl ester
SpectraBase Compound ID 3wkjy4YRXMh
InChI InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22(23)20-6-4-2/h3-21H2,1-2H3
InChIKey RLQKMAZLNZVIJS-UHFFFAOYSA-N
Mol Weight 340.6 g/mol
Molecular Formula C22H44O2
Exact Mass 340.334131 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1Rn3aluLnaH
Name Pentanoic acid, heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.334130655 u
Formula C22H44O2
InChI InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22(23)20-6-4-2/h3-21H2,1-2H3
InChIKey RLQKMAZLNZVIJS-UHFFFAOYSA-N
Molecular Weight 340.592 g/mol
SMILES C(CCCCCCCCCCCC)CCCCOC(=O)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923852