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3-Methyl-2-butenoic acid, tridecyl ester

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

3-Methyl-2-butenoic acid, tridecyl ester
SpectraBase Compound ID JOcv04eXmJf
InChI InChI=1S/C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-18(19)16-17(2)3/h16H,4-15H2,1-3H3
InChIKey YWMJTRCVISRLBB-UHFFFAOYSA-N
Mol Weight 282.5 g/mol
Molecular Formula C18H34O2
Exact Mass 282.25588 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Pw01BHfUaI
Name 3-Methyl-2-butenoic acid, tridecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.255880333 u
Formula C18H34O2
InChI InChI=1S/C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-18(19)16-17(2)3/h16H,4-15H2,1-3H3
InChIKey YWMJTRCVISRLBB-UHFFFAOYSA-N
Molecular Weight 282.468 g/mol
SMILES CCCCCCCCCCCCCOC(=O)C=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919678