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

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

4-Pentenoic acid, 2-methyl-, hexadecyl ester
SpectraBase Compound ID ADyizhLPwnz
InChI InChI=1S/C22H42O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-22(23)21(3)19-5-2/h5,21H,2,4,6-20H2,1,3H3
InChIKey AFDKHYRYTRWOSQ-UHFFFAOYSA-N
Mol Weight 338.6 g/mol
Molecular Formula C22H42O2
Exact Mass 338.318481 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D9K5wMSp4hH
Name 4-Pentenoic acid, 2-methyl-, hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.318480590 u
Formula C22H42O2
InChI InChI=1S/C22H42O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-22(23)21(3)19-5-2/h5,21H,2,4,6-20H2,1,3H3
InChIKey AFDKHYRYTRWOSQ-UHFFFAOYSA-N
Molecular Weight 338.576 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCCCC)=O)C)C=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904834