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2-Cyclohexen-1-one, 4,4-dimethyl-3-(3-oxo-1-butenyl)-, (Z)-
SpectraBase Compound ID ILQrJEMz3B
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-PLNGDYQASA-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 49iFEFTduVj
Name 2-Cyclohexen-1-one, 4,4-dimethyl-3-(3-oxo-1-butenyl)-, (Z)-
CAS Registry Number 125254-58-2
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-PLNGDYQASA-N
Molecular Weight 192.258 g/mol
SMILES C1(=CC(=O)CCC1(C)C)\C=C/C(=O)C
SPLASH splash10-0abl-4900000000-a92c2055d4e5619de021
Source of Spectrum H-72-763-31
Synonyms (Z)-4-(6,6-dimethyl-3-oxocyclohex-1-enyl)but-3-en-2-one 4,4-Dimethyl-3-[(1Z)-3-oxo-1-butenyl]-2-cyclohexen-1-one
Wiley ID 1188700