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3-Methyl-2-butenoic acid, 6-ethyl-3-octyl ester

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

3-Methyl-2-butenoic acid, 6-ethyl-3-octyl ester
SpectraBase Compound ID 2VxjpgGEkrI
InChI InChI=1S/C15H28O2/c1-6-13(7-2)9-10-14(8-3)17-15(16)11-12(4)5/h11,13-14H,6-10H2,1-5H3
InChIKey YETRLVVPCKJMHS-UHFFFAOYSA-N
Mol Weight 240.39 g/mol
Molecular Formula C15H28O2
Exact Mass 240.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BOSWIU9k0M
Name 3-Methyl-2-butenoic acid, 6-ethyl-3-octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.208930140 u
Formula C15H28O2
InChI InChI=1S/C15H28O2/c1-6-13(7-2)9-10-14(8-3)17-15(16)11-12(4)5/h11,13-14H,6-10H2,1-5H3
InChIKey YETRLVVPCKJMHS-UHFFFAOYSA-N
Molecular Weight 240.387 g/mol
SMILES CCC(CC)CCC(CC)OC(=O)C=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906635