For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
l-Cysteine, N-acetyl-S-[5-(acetylamino)-2-hydroxyphenyl]-
SpectraBase Compound ID 1CyxYhvIBTr
InChI InChI=1S/C13H16N2O5S/c1-7(16)14-9-3-4-11(18)12(5-9)21-6-10(13(19)20)15-8(2)17/h3-5,10,18H,6H2,1-2H3,(H,14,16)(H,15,17)(H,19,20)
InChIKey DVPRQNKJGQEICH-UHFFFAOYSA-N
Mol Weight 312.34 g/mol
Molecular Formula C13H16N2O5S
Exact Mass 312.077993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 681T6qFC8uz
Name l-Cysteine, N-acetyl-S-[5-(acetylamino)-2-hydroxyphenyl]-
Alternate Name(s) N-Acetyl[5-(acetylamino)-2-hydroxyphenyl]cysteine 2-Acetamido-3-(5-acetamido-2-hydroxy-phenyl)sulfanyl-propanoic acid 2-Acetamido-3-(5-acetamido-2-oxidanyl-phenyl)sulfanyl-propanoic acid 2-Acetamido-3-[(5-acetamido-2-hydroxy-phenyl)thio]propionic acid 2-Acetamido-3-[(5-acetamido-2-hydroxyphenyl)thio]propanoic acid Acetaminophen mercapturate Acetaminophen-2-mercapturate N-Acetyl-2-(N-acetyl-L-S-cysteinyl)-4-aminophenol N-acetyl-S-(5-(acetylamino)-2-hydroxyphenyl)-L-cysteine Paracetamol mercapturate
CAS Registry Number 52372-86-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O5S
InChI InChI=1S/C13H16N2O5S/c1-7(16)14-9-3-4-11(18)12(5-9)21-6-10(13(19)20)15-8(2)17/h3-5,10,18H,6H2,1-2H3,(H,14,16)(H,15,17)(H,19,20)
InChIKey DVPRQNKJGQEICH-UHFFFAOYSA-N
Molecular Weight 312.340 g/mol
SMILES N(c1cc(SCC(C(O)=O)NC(C)=O)c(cc1)O)C(C)=O
SPLASH splash10-00kf-5900000000-ebf7efc772e9530fa9d4
Source of Spectrum KO-8-248-1
Wiley ID 1312904