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3-Methyl-2-butenoic acid, octadecyl ester

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

3-Methyl-2-butenoic acid, octadecyl ester
SpectraBase Compound ID GmKjwcflkyp
InChI InChI=1S/C23H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-23(24)21-22(2)3/h21H,4-20H2,1-3H3
InChIKey BGTHNMRJRKBMLL-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 Eye5RSvUmPr
Name 3-Methyl-2-butenoic acid, octadecyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-23(24)21-22(2)3/h21H,4-20H2,1-3H3
InChIKey BGTHNMRJRKBMLL-UHFFFAOYSA-N
Molecular Weight 352.603 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(=O)C=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958104