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(5R)-5-[(1S)-2-bromo-1-methoxy-1-methyl-ethyl]-2-methyl-3-phenyl-cyclohex-2-en-1-one

View entire compound with spectra: 1 MS (GC)

(5R)-5-[(1S)-2-bromo-1-methoxy-1-methyl-ethyl]-2-methyl-3-phenyl-cyclohex-2-en-1-one
SpectraBase Compound ID Cx0Qi6VnGhG
InChI InChI=1S/C17H21BrO2/c1-12-15(13-7-5-4-6-8-13)9-14(10-16(12)19)17(2,11-18)20-3/h4-8,14H,9-11H2,1-3H3/t14-,17-/m1/s1
InChIKey ZSMYYNJUVRVIHQ-RHSMWYFYSA-N
Mol Weight 337.26 g/mol
Molecular Formula C17H21BrO2
Exact Mass 336.072493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wsdaj2DZyI
Name (5R)-5-[(1S)-2-bromo-1-methoxy-1-methyl-ethyl]-2-methyl-3-phenyl-cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21BrO2
InChI InChI=1S/C17H21BrO2/c1-12-15(13-7-5-4-6-8-13)9-14(10-16(12)19)17(2,11-18)20-3/h4-8,14H,9-11H2,1-3H3/t14-,17-/m1/s1
InChIKey ZSMYYNJUVRVIHQ-RHSMWYFYSA-N
Molecular Weight 337.257 g/mol
SMILES C1(=C(C(=O)C[C@@](C1)([C@](OC)(CBr)C)[H])C)c1ccccc1
SPLASH splash10-0f80-0901000000-632b13e89786b7a11524
Source of Spectrum F-48-9345-6
Synonyms (5R)-5-[(2S)-1-bromanyl-2-methoxy-propan-2-yl]-2-methyl-3-phenyl-cyclohex-2-en-1-one (5R)-5-[(2S)-1-bromo-2-methoxypropan-2-yl]-2-methyl-3-phenyl-1-cyclohex-2-enone (5R)-5-[(2S)-1-bromo-2-methoxypropan-2-yl]-2-methyl-3-phenylcyclohex-2-en-1-one
Wiley ID 1332247