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1-(2-Butyl-1-hexenyl)-1-cyclohexen-3-one

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

1-(2-Butyl-1-hexenyl)-1-cyclohexen-3-one
SpectraBase Compound ID CrUAyPZ0KrN
InChI InChI=1S/C16H26O/c1-3-5-8-14(9-6-4-2)12-15-10-7-11-16(17)13-15/h12-13H,3-11H2,1-2H3
InChIKey ULCJBMKRQGGRDX-UHFFFAOYSA-N
Mol Weight 234.38 g/mol
Molecular Formula C16H26O
Exact Mass 234.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E6o4bmF1KJJ
Name 1-(2-Butyl-1-hexenyl)-1-cyclohexen-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.198365456 u
Formula C16H26O
InChI InChI=1S/C16H26O/c1-3-5-8-14(9-6-4-2)12-15-10-7-11-16(17)13-15/h12-13H,3-11H2,1-2H3
InChIKey ULCJBMKRQGGRDX-UHFFFAOYSA-N
Molecular Weight 234.383 g/mol
SMILES C1(C=C(CCCC)CCCC)=CC(=O)CCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869381