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3-Methyl-2-butenoic acid, 3-tridecyl ester

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

3-Methyl-2-butenoic acid, 3-tridecyl ester
SpectraBase Compound ID BkHIeu3d3a5
InChI InChI=1S/C18H34O2/c1-5-7-8-9-10-11-12-13-14-17(6-2)20-18(19)15-16(3)4/h15,17H,5-14H2,1-4H3
InChIKey RIIKASYZQJOPFE-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 5C9bHoRKtam
Name 3-Methyl-2-butenoic acid, 3-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/c1-5-7-8-9-10-11-12-13-14-17(6-2)20-18(19)15-16(3)4/h15,17H,5-14H2,1-4H3
InChIKey RIIKASYZQJOPFE-UHFFFAOYSA-N
Molecular Weight 282.468 g/mol
SMILES CCC(CCCCCCCCCC)OC(C=C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942896