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Hexanoic acid, heptadecyl ester

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

Hexanoic acid, heptadecyl ester
SpectraBase Compound ID 333hkIRAiqx
InChI InChI=1S/C23H46O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-25-23(24)21-19-6-4-2/h3-22H2,1-2H3
InChIKey BGJDUAKPWNCFCP-UHFFFAOYSA-N
Mol Weight 354.6 g/mol
Molecular Formula C23H46O2
Exact Mass 354.349781 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HiYGPVHbOCG
Name Hexanoic acid, heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.349780719 u
Formula C23H46O2
InChI InChI=1S/C23H46O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-25-23(24)21-19-6-4-2/h3-22H2,1-2H3
InChIKey BGJDUAKPWNCFCP-UHFFFAOYSA-N
Molecular Weight 354.619 g/mol
SMILES C(CCCCCCCCCCCC)CCCCOC(=O)CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931774