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6-Methylhept-4-en-1-yl 2-methylbutanoate

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

6-Methylhept-4-en-1-yl 2-methylbutanoate
SpectraBase Compound ID DhhVOFZsBAk
InChI InChI=1S/C13H24O2/c1-5-12(4)13(14)15-10-8-6-7-9-11(2)3/h7,9,11-12H,5-6,8,10H2,1-4H3/b9-7+
InChIKey UEFIVOCAMRBMJV-VQHVLOKHSA-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 CW7IQLVPV0h
Name 6-Methylhept-4-en-1-yl 2-methylbutanoate
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/c1-5-12(4)13(14)15-10-8-6-7-9-11(2)3/h7,9,11-12H,5-6,8,10H2,1-4H3/b9-7+
InChIKey UEFIVOCAMRBMJV-VQHVLOKHSA-N
Molecular Weight 212.333 g/mol
SMILES C(C(CC)C)(=O)OCCC\C=C\C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97614