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4-Benzoxy-6-bromo-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one
SpectraBase Compound ID BqkmU0Y7JIc
InChI InChI=1S/C21H27BrO2/c1-20(2)10-7-11-21(20,3)16-12-18(23)17(22)13-19(16)24-14-15-8-5-4-6-9-15/h4-6,8-9,12,17,19H,7,10-11,13-14H2,1-3H3/t17?,19?,21-/m1/s1
InChIKey SHLMTWBLECBAII-CNBHCMJISA-N
Mol Weight 391.35 g/mol
Molecular Formula C21H27BrO2
Exact Mass 390.119443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESjZ6r8eZKt
Name 4-Benzoxy-6-bromo-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one
Alternate Name(s) 4-Benzyloxy-6-bromo-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one 6-Bromanyl-4-phenylmethoxy-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one 6-Bromo-4-phenylmethoxy-3-[(1S)-1,2,2-trimethylcyclopentyl]-1-cyclohex-2-enone 6-Bromo-4-phenylmethoxy-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one
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Formula C21H27BrO2
InChI InChI=1S/C21H27BrO2/c1-20(2)10-7-11-21(20,3)16-12-18(23)17(22)13-19(16)24-14-15-8-5-4-6-9-15/h4-6,8-9,12,17,19H,7,10-11,13-14H2,1-3H3/t17?,19?,21-/m1/s1
InChIKey SHLMTWBLECBAII-CNBHCMJISA-N
Molecular Weight 391.349 g/mol
SMILES C1(=CC(=O)C(CC1OCc1ccccc1)Br)[C@@]1(C(CCC1)(C)C)C
SPLASH splash10-052f-7090000000-84efd125c48e96d2c316
Source of Spectrum QC-11-1611-10
Wiley ID 859764