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3-Octenoic acid, pentadecyl ester

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

3-Octenoic acid, pentadecyl ester
SpectraBase Compound ID CEBegyU4tFL
InChI InChI=1S/C23H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22-25-23(24)21-19-17-8-6-4-2/h17,19H,3-16,18,20-22H2,1-2H3/b19-17+
InChIKey CCIMOGRZLCCVTN-HTXNQAPBSA-N
Mol Weight 352.6 g/mol
Molecular Formula C23H44O2
Exact Mass 352.334131 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LwdOZqTn4oQ
Name 3-Octenoic acid, pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.334130655 u
Formula C23H44O2
InChI InChI=1S/C23H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22-25-23(24)21-19-17-8-6-4-2/h17,19H,3-16,18,20-22H2,1-2H3/b19-17+
InChIKey CCIMOGRZLCCVTN-HTXNQAPBSA-N
Molecular Weight 352.603 g/mol
SMILES C(\C=C\CCCC)C(OCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898119