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2-Heptenoic acid, hexadecyl ester

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

2-Heptenoic acid, hexadecyl ester
SpectraBase Compound ID 59MTiMC4vph
InChI InChI=1S/C23H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-25-23(24)21-19-8-6-4-2/h19,21H,3-18,20,22H2,1-2H3/b21-19+
InChIKey ZGECTZNHMQNLSP-XUTLUUPISA-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 3NWTQ1l2vk
Name 2-Heptenoic acid, hexadecyl 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/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-25-23(24)21-19-8-6-4-2/h19,21H,3-18,20,22H2,1-2H3/b21-19+
InChIKey ZGECTZNHMQNLSP-XUTLUUPISA-N
Molecular Weight 352.603 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCCCCCC)=O)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918529