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1-(4-Isopropyl-1-cyclohexen-1-yl)-2-hexanone

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

1-(4-Isopropyl-1-cyclohexen-1-yl)-2-hexanone
SpectraBase Compound ID 7msHcI1VGvt
InChI InChI=1S/C15H26O/c1-4-5-6-15(16)11-13-7-9-14(10-8-13)12(2)3/h7,12,14H,4-6,8-11H2,1-3H3
InChIKey ALAVMHCXEQCTHA-UHFFFAOYSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BN4XELuYP9g
Name 1-(4-Isopropyl-1-cyclohexen-1-yl)-2-hexanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.198365456 u
Formula C15H26O
InChI InChI=1S/C15H26O/c1-4-5-6-15(16)11-13-7-9-14(10-8-13)12(2)3/h7,12,14H,4-6,8-11H2,1-3H3
InChIKey ALAVMHCXEQCTHA-UHFFFAOYSA-N
Molecular Weight 222.372 g/mol
SMILES CC(C)C1CC=C(CC1)CC(=O)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942302