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1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-1-one
SpectraBase Compound ID HnKR2kcKv8u
InChI InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,8,12H,1,6-7,9H2,2-4H3
InChIKey GCGZDUFEEQNVPR-UHFFFAOYSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I5RafdL0u27
Name 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-1-one
Alternate Name(s) .alpha.-Damascone 1-(2,6,6-trimethyl-1-cyclohex-2-enyl)-3-buten-1-one 1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-1-one
CAS Registry Number 31089-90-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O
InChI InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,8,12H,1,6-7,9H2,2-4H3
InChIKey GCGZDUFEEQNVPR-UHFFFAOYSA-N
Molecular Weight 192.302 g/mol
SMILES C1C=C(C(C(C1)(C)C)C(=O)CC=C)C
SPLASH splash10-014i-9200000000-20058a4426162fadc692
Source of Spectrum PR-667-0-0
Wiley ID 1189037