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2-Heptenoic acid, heptadecyl ester

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

2-Heptenoic acid, heptadecyl ester
SpectraBase Compound ID KUleHQLTBoI
InChI InChI=1S/C24H46O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-26-24(25)22-20-8-6-4-2/h20,22H,3-19,21,23H2,1-2H3/b22-20+
InChIKey RFYKKCCZKLVYTM-LSDHQDQOSA-N
Mol Weight 366.6 g/mol
Molecular Formula C24H46O2
Exact Mass 366.349781 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H8Tmp0W6slM
Name 2-Heptenoic acid, heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.349780719 u
Formula C24H46O2
InChI InChI=1S/C24H46O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-26-24(25)22-20-8-6-4-2/h20,22H,3-19,21,23H2,1-2H3/b22-20+
InChIKey RFYKKCCZKLVYTM-LSDHQDQOSA-N
Molecular Weight 366.630 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCCCCCCC)=O)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947356