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1,3-Butanedione, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
SpectraBase Compound ID 2hmOqZ1eDKz
InChI InChI=1S/C13H20O2/c1-9-6-5-7-13(3,4)12(9)11(15)8-10(2)14/h5-8H2,1-4H3
InChIKey HZBFGGQVOGNFKB-UHFFFAOYSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42JoWyvy2el
Name 1,3-Butanedione, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CAS Registry Number 39900-12-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-9-6-5-7-13(3,4)12(9)11(15)8-10(2)14/h5-8H2,1-4H3
InChIKey HZBFGGQVOGNFKB-UHFFFAOYSA-N
Molecular Weight 208.301 g/mol
SMILES C1C(=C(C(CC1)(C)C)C(=O)CC(=O)C)C
SPLASH splash10-0ap3-5910000000-01fadc1ce146beb9e975
Synonyms 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1,3-butanedione 1-(2,6,6-trimethyl-1-cyclohexenyl)butane-1,3-dione 1-(2,6,6-Trimethyl-cyclohex-1-enyl)-butane-1,3-dione 1-(2,6,6-trimethylcyclohexen-1-yl)butane-1,3-dione
Wiley ID 1480504