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1-Butanone, 2-(bromophenylmethyl)-3,3-dimethyl-1-phenyl-, (R*,R*)-(.+-.)-
SpectraBase Compound ID JRBtWFoEcNY
InChI InChI=1S/C19H21BrO/c1-19(2,3)16(17(20)14-10-6-4-7-11-14)18(21)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3/t16-,17-/m0/s1
InChIKey ZBTSBNRMHBLLHG-IRXDYDNUSA-N
Mol Weight 345.28 g/mol
Molecular Formula C19H21BrO
Exact Mass 344.077578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGeCiqzkevg
Name 1-Butanone, 2-(bromophenylmethyl)-3,3-dimethyl-1-phenyl-, (R*,R*)-(.+-.)-
Alternate Name(s) (2R)-2-[(R)-bromo(phenyl)methyl]-3,3-dimethyl-1-phenyl-1-butanone (R,r/s,S)-2-(bromophenylmethyl)-3,3-dimethyl-1-phenyl-1-butanone
CAS Registry Number 81788-82-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21BrO
InChI InChI=1S/C19H21BrO/c1-19(2,3)16(17(20)14-10-6-4-7-11-14)18(21)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3/t16-,17-/m0/s1
InChIKey ZBTSBNRMHBLLHG-IRXDYDNUSA-N
Molecular Weight 345.280 g/mol
SMILES [C@](C(=O)c1ccccc1)([C@](c1ccccc1)(Br)[H])(C(C)(C)C)[H]
SPLASH splash10-0a4i-3940000000-3db4f681f4398ddfde2d
Source of Spectrum K-115-1541-0
Wiley ID 1337912