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(2S)-3-bromo-2-methyl-1,2-diphenylbutan-1-one
SpectraBase Compound ID FIA1Faq3Cxq
InChI InChI=1S/C17H17BrO/c1-13(18)17(2,15-11-7-4-8-12-15)16(19)14-9-5-3-6-10-14/h3-13H,1-2H3/t13-,17+/m1/s1
InChIKey FKIPSVHYNSMZKS-DYVFJYSZSA-N
Mol Weight 317.23 g/mol
Molecular Formula C17H17BrO
Exact Mass 316.046278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72rkzh9szCd
Name (2S)-3-bromo-2-methyl-1,2-diphenylbutan-1-one
Alternate Name(s) (2S,3R)-3-bromo-2-methyl-1,2-diphenylbutan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17BrO
InChI InChI=1S/C17H17BrO/c1-13(18)17(2,15-11-7-4-8-12-15)16(19)14-9-5-3-6-10-14/h3-13H,1-2H3/t13-,17+/m1/s1
InChIKey FKIPSVHYNSMZKS-DYVFJYSZSA-N
Literature Reference DOI 10.1039/c1sc00295c
Molecular Weight 317.226 g/mol
SMILES [C@@](Br)([C@@](C(c1ccccc1)=O)(C)c1ccccc1)(C)[H]
SPLASH splash10-00lr-0900000000-34686464ef7ef1f4431a
Source of Spectrum CSS-2-1839/SM-2l
Wiley ID 1755021