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trans-4-Bromo-1-methyl-5-phenylthiopyrrolidin-2-one
SpectraBase Compound ID 7djtJrXCVne
InChI InChI=1S/C11H12BrNOS/c1-13-10(14)7-9(12)11(13)15-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-,11+/m0/s1
InChIKey VBIQOCVXMBLXGF-GXSJLCMTSA-N
Mol Weight 286.19 g/mol
Molecular Formula C11H12BrNOS
Exact Mass 284.982298 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8EGZ72nElOI
Name trans-4-Bromo-1-methyl-5-phenylthiopyrrolidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12BrNOS
InChI InChI=1S/C11H12BrNOS/c1-13-10(14)7-9(12)11(13)15-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-,11+/m0/s1
InChIKey VBIQOCVXMBLXGF-GXSJLCMTSA-N
Molecular Weight 286.187 g/mol
SMILES C1(N([C@@]([C@](C1)(Br)[H])(Sc1ccccc1)[H])C)=O
SPLASH splash10-056s-0910000000-f086ae3b341e9ddb9535
Source of Spectrum F-51-12787-12
Synonyms (4S,5R)-4-bromo-1-methyl-5-(phenylsulfanyl)-2-pyrrolidinone
Wiley ID 794190