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2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexanone
SpectraBase Compound ID 8FE9bkCyTbc
InChI InChI=1S/C17H19BrO4/c1-9(19)14-13(21)8-17(3,22)16(10(2)20)15(14)11-4-6-12(18)7-5-11/h4-7,14-16,22H,8H2,1-3H3
InChIKey RAHYDEYNMNOBFR-UHFFFAOYSA-N
Mol Weight 367.24 g/mol
Molecular Formula C17H19BrO4
Exact Mass 366.046672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91A3ioMIOGT
Name 2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexanone
Alternate Name(s) 2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methyl-1-cyclohexanone 2,4-Diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one 3-(4-bromophenyl)-2,4-diethanoyl-5-methyl-5-oxidanyl-cyclohexan-1-one Cyclohexanone, 2,4-diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methyl-
CAS Registry Number 76354-24-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19BrO4
InChI InChI=1S/C17H19BrO4/c1-9(19)14-13(21)8-17(3,22)16(10(2)20)15(14)11-4-6-12(18)7-5-11/h4-7,14-16,22H,8H2,1-3H3
InChIKey RAHYDEYNMNOBFR-UHFFFAOYSA-N
Molecular Weight 367.239 g/mol
SMILES OC1(C(C(c2ccc(cc2)Br)C(C(C1)=O)C(=O)C)C(=O)C)C
SPLASH splash10-0006-9221000000-b564a376f6795ced2969
Source of Spectrum AD-0-2532-0
Wiley ID 1421683