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DL-Cysteine, N-acetyl-S-(3,4-dibromophenyl)-
SpectraBase Compound ID 3Un7c9LYEQU
InChI InChI=1S/C11H11Br2NO3S/c1-6(15)14-10(11(16)17)5-18-7-2-3-8(12)9(13)4-7/h2-4,10H,5H2,1H3,(H,14,15)(H,16,17)
InChIKey UBXBJHQEVVECCZ-UHFFFAOYSA-N
Mol Weight 397.08 g/mol
Molecular Formula C11H11Br2NO3S
Exact Mass 394.88264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TAwgofEOYI
Name DL-Cysteine, N-acetyl-S-(3,4-dibromophenyl)-
CAS Registry Number 126189-98-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11Br2NO3S
InChI InChI=1S/C11H11Br2NO3S/c1-6(15)14-10(11(16)17)5-18-7-2-3-8(12)9(13)4-7/h2-4,10H,5H2,1H3,(H,14,15)(H,16,17)
InChIKey UBXBJHQEVVECCZ-UHFFFAOYSA-N
Molecular Weight 397.081 g/mol
SMILES OC(C(NC(=O)C)CSc1cc(Br)c(cc1)Br)=O
SPLASH splash10-052f-9510000000-215c3b9ad79399775435
Source of Spectrum J-55-2739-13
Synonyms 2-Acetamido-3-[(3,4-dibromophenyl)thio]propanoic acid (s-(3,4-dibromophenyl)mercaptuic acid N-acetyl(3,4-dibromophenyl)cysteine
Wiley ID 1366942