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3-Buten-2-one, 4-(6,6-dimethyl-1-cyclohexen-1-yl)-

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

3-Buten-2-one, 4-(6,6-dimethyl-1-cyclohexen-1-yl)-
SpectraBase Compound ID 3ngzzs6h9zV
InChI InChI=1S/C12H18O/c1-10(13)7-8-11-6-4-5-9-12(11,2)3/h6-8H,4-5,9H2,1-3H3/b8-7+
InChIKey JXVNWAUWOPLPEA-BQYQJAHWSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3dnLyVkFbWw
Name 3-Buten-2-one, 4-(6,6-dimethyl-1-cyclohexen-1-yl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 178.135765199 u
Formula C12H18O
InChI InChI=1S/C12H18O/c1-10(13)7-8-11-6-4-5-9-12(11,2)3/h6-8H,4-5,9H2,1-3H3/b8-7+
InChIKey JXVNWAUWOPLPEA-BQYQJAHWSA-N
Molecular Weight 178.275 g/mol
SMILES C1C=C(\C=C\C(C)=O)C(CC1)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970219