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Octan-2-yl (E)-2-methylbut-2-enoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Octan-2-yl (E)-2-methylbut-2-enoate
SpectraBase Compound ID Bpso88SVL9I
InChI InChI=1S/C13H24O2/c1-5-7-8-9-10-12(4)15-13(14)11(3)6-2/h6,12H,5,7-10H2,1-4H3/b11-6+
InChIKey XGOLBNZGKRAOKD-IZZDOVSWSA-N
Mol Weight 212.33 g/mol
Molecular Formula C13H24O2
Exact Mass 212.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1ThmZVPQy6n
Name Octan-2-yl (E)-2-methylbut-2-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.177630011 u
Formula C13H24O2
InChI InChI=1S/C13H24O2/c1-5-7-8-9-10-12(4)15-13(14)11(3)6-2/h6,12H,5,7-10H2,1-4H3/b11-6+
InChIKey XGOLBNZGKRAOKD-IZZDOVSWSA-N
Molecular Weight 212.333 g/mol
SMILES C(=O)(\C(C)=C\C)OC(CCCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.987381