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3-[(E)-3-ketobut-1-enyl]-4,4-dimethyl-cyclohex-2-en-1-one
SpectraBase Compound ID 2tLvip8Iz6E
InChI InChI=1S/C12H16O2/c1-9(13)4-5-10-8-11(14)6-7-12(10,2)3/h4-5,8H,6-7H2,1-3H3/b5-4+
InChIKey RPRTVKRITBDLNQ-SNAWJCMRSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jmk9qy3Ho5c
Name 3-[(E)-3-ketobut-1-enyl]-4,4-dimethyl-cyclohex-2-en-1-one
CAS Registry Number 108946-92-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-9(13)4-5-10-8-11(14)6-7-12(10,2)3/h4-5,8H,6-7H2,1-3H3/b5-4+
InChIKey RPRTVKRITBDLNQ-SNAWJCMRSA-N
Molecular Weight 192.258 g/mol
SMILES C1(=CC(=O)CCC1(C)C)\C=C\C(=O)C
SPLASH splash10-006x-6900000000-2d21a4e461877042b1a1
Source of Spectrum H-72-764-2
Synonyms 4,4-Dimethyl-3-[(E)-3-oxidanylidenebut-1-enyl]cyclohex-2-en-1-one 4,4-Dimethyl-3-[(E)-3-oxobut-1-enyl]-1-cyclohex-2-enone 4,4-Dimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one
Wiley ID 1188701