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2-Acetamido-3-(2,5-dihydroxyphenyl)sulfanyl-propanoic acid
SpectraBase Compound ID 5ppSZ5N3QTY
InChI InChI=1S/C11H13NO5S/c1-6(13)12-8(11(16)17)5-18-10-4-7(14)2-3-9(10)15/h2-4,8,14-15H,5H2,1H3,(H,12,13)(H,16,17)
InChIKey MGRMXYTUNZXUAF-UHFFFAOYSA-N
Mol Weight 271.29 g/mol
Molecular Formula C11H13NO5S
Exact Mass 271.051444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pONWrrySM6
Name 2-Acetamido-3-(2,5-dihydroxyphenyl)sulfanyl-propanoic acid
Alternate Name(s) 2-Acetamido-3-[(2,5-dihydroxyphenyl)thio]propanoic acid 2-Acetamido-3-[(2,5-dihydroxyphenyl)thio]propionic acid 2-Acetamido-3-[2,5-bis(oxidanyl)phenyl]sulfanyl-propanoic acid
CAS Registry Number 126190-02-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO5S
InChI InChI=1S/C11H13NO5S/c1-6(13)12-8(11(16)17)5-18-10-4-7(14)2-3-9(10)15/h2-4,8,14-15H,5H2,1H3,(H,12,13)(H,16,17)
InChIKey MGRMXYTUNZXUAF-UHFFFAOYSA-N
Molecular Weight 271.287 g/mol
SMILES OC(C(CSc1c(ccc(c1)O)O)NC(=O)C)=O
SPLASH splash10-0006-9800000000-859821311f4bd488882b
Source of Spectrum J-55-2740-17
Wiley ID 1275083