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1-Methyl-1-(4-methylcyclohex-3-enyl)ethyl valerate

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

1-Methyl-1-(4-methylcyclohex-3-enyl)ethyl valerate
SpectraBase Compound ID FdXnqiv0XJa
InChI InChI=1S/C15H26O2/c1-5-6-7-14(16)17-15(3,4)13-10-8-12(2)9-11-13/h8,13H,5-7,9-11H2,1-4H3
InChIKey GIHNOWFSKYCHNL-UHFFFAOYSA-N
Mol Weight 238.37 g/mol
Molecular Formula C15H26O2
Exact Mass 238.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LpiQcTRhDKR
Name 1-Methyl-1-(4-methylcyclohex-3-enyl)ethyl valerate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.193280075 u
Formula C15H26O2
InChI InChI=1S/C15H26O2/c1-5-6-7-14(16)17-15(3,4)13-10-8-12(2)9-11-13/h8,13H,5-7,9-11H2,1-4H3
InChIKey GIHNOWFSKYCHNL-UHFFFAOYSA-N
Molecular Weight 238.371 g/mol
SMILES C(OC(=O)CCCC)(C1CC=C(CC1)C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.8708