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2-Cyclohexen-1-one, 4-bromo-3,5,5-trimethyl-
SpectraBase Compound ID GSRDUa09s8G
InChI InChI=1S/C9H13BrO/c1-6-4-7(11)5-9(2,3)8(6)10/h4,8H,5H2,1-3H3
InChIKey IZIVVHDGGASIQV-UHFFFAOYSA-N
Mol Weight 217.11 g/mol
Molecular Formula C9H13BrO
Exact Mass 216.014978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95WSPF4iPgT
Name 2-Cyclohexen-1-one, 4-bromo-3,5,5-trimethyl-
CAS Registry Number 16004-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13BrO
InChI InChI=1S/C9H13BrO/c1-6-4-7(11)5-9(2,3)8(6)10/h4,8H,5H2,1-3H3
InChIKey IZIVVHDGGASIQV-UHFFFAOYSA-N
Molecular Weight 217.106 g/mol
SMILES C1(=CC(=O)CC(C1Br)(C)C)C
SPLASH splash10-00kr-2920000000-024928cb3ca17b6c7913
Source of Spectrum AN-84-377-0
Synonyms 4-Bromanyl-3,5,5-trimethyl-cyclohex-2-en-1-one 4-Bromo-3,5,5-trimethyl-1-cyclohex-2-enone 4-Bromo-3,5,5-trimethyl-cyclohex-2-en-1-one
Wiley ID 1215048