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7-Butyl-6,6-dimethylbicyclo(3.3.0)oct-7-en-2-one

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

7-Butyl-6,6-dimethylbicyclo(3.3.0)oct-7-en-2-one
SpectraBase Compound ID BBlg6QPRhbv
InChI InChI=1S/C14H22O/c1-4-5-6-10-9-11-12(14(10,2)3)7-8-13(11)15/h9,11-12H,4-8H2,1-3H3
InChIKey HUGDHXKPFPCNKN-UHFFFAOYSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5y3cQTs29lj
Name 7-Butyl-6,6-dimethylbicyclo(3.3.0)oct-7-en-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.167065327 u
Formula C14H22O
InChI InChI=1S/C14H22O/c1-4-5-6-10-9-11-12(14(10,2)3)7-8-13(11)15/h9,11-12H,4-8H2,1-3H3
InChIKey HUGDHXKPFPCNKN-UHFFFAOYSA-N
Molecular Weight 206.329 g/mol
SMILES C12C(CCC2C(C(=C1)CCCC)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956413