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4-Pentenoic acid, 2-methyl-, heptadecyl ester

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

4-Pentenoic acid, 2-methyl-, heptadecyl ester
SpectraBase Compound ID 3jbxzGlEgwC
InChI InChI=1S/C23H44O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-23(24)22(3)20-5-2/h5,22H,2,4,6-21H2,1,3H3
InChIKey BQNQFBBQCNZZGY-UHFFFAOYSA-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 4dvAyWWGedO
Name 4-Pentenoic acid, 2-methyl-, heptadecyl 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/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-23(24)22(3)20-5-2/h5,22H,2,4,6-21H2,1,3H3
InChIKey BQNQFBBQCNZZGY-UHFFFAOYSA-N
Molecular Weight 352.603 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCCCCC)=O)C)C=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910693