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DL-Cysteine, N-acetyl-S-(4-bromo-2-hydroxyphenyl)-
SpectraBase Compound ID GeJ30FtZ814
InChI InChI=1S/C11H12BrNO4S/c1-6(14)13-8(11(16)17)5-18-10-3-2-7(12)4-9(10)15/h2-4,8,15H,5H2,1H3,(H,13,14)(H,16,17)
InChIKey OEYAYPZCLNDGRK-UHFFFAOYSA-N
Mol Weight 334.18 g/mol
Molecular Formula C11H12BrNO4S
Exact Mass 332.967042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Enehy0IPhZz
Name DL-Cysteine, N-acetyl-S-(4-bromo-2-hydroxyphenyl)-
Alternate Name(s) 2-Acetamido-3-[(4-bromo-2-hydroxyphenyl)thio]propanoic acid (s-(4-bromo-2-hydroxyphenyl)mercapturic acid N-acetyl(4-bromo-2-hydroxyphenyl)cysteine
CAS Registry Number 126190-00-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12BrNO4S
InChI InChI=1S/C11H12BrNO4S/c1-6(14)13-8(11(16)17)5-18-10-3-2-7(12)4-9(10)15/h2-4,8,15H,5H2,1H3,(H,13,14)(H,16,17)
InChIKey OEYAYPZCLNDGRK-UHFFFAOYSA-N
Molecular Weight 334.184 g/mol
SMILES OC(C(CSc1c(cc(cc1)Br)O)NC(=O)C)=O
SPLASH splash10-004i-9020000000-36e47e2610757be5fbe5
Source of Spectrum J-55-2740-15
Wiley ID 1330025