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2-Acetamido-3-(3'-hydroxypropylthio)propanoic acid
SpectraBase Compound ID 8MnTIMHmEhh
InChI InChI=1S/C8H15NO4S/c1-6(11)9-7(8(12)13)5-14-4-2-3-10/h7,10H,2-5H2,1H3,(H,9,11)(H,12,13)
InChIKey FMWPQZPFBAHHMB-UHFFFAOYSA-N
Mol Weight 221.27 g/mol
Molecular Formula C8H15NO4S
Exact Mass 221.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RFzZyz1No
Name 2-Acetamido-3-(3'-hydroxypropylthio)propanoic acid
Alternate Name(s) 2-Acetamido-3-(3-hydroxypropylsulfanyl)propanoic acid 2-Acetamido-3-(3-hydroxypropylthio)propanoic acid 2-Acetamido-3-(3-hydroxypropylthio)propionic acid 2-Acetamido-3-(3-oxidanylpropylsulfanyl)propanoic acid
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Formula C8H15NO4S
InChI InChI=1S/C8H15NO4S/c1-6(11)9-7(8(12)13)5-14-4-2-3-10/h7,10H,2-5H2,1H3,(H,9,11)(H,12,13)
InChIKey FMWPQZPFBAHHMB-UHFFFAOYSA-N
Molecular Weight 221.271 g/mol
SMILES OC(C(CSCCCO)NC(=O)C)=O
SPLASH splash10-03dm-9400000000-0022995b80d612f3afe0
Source of Spectrum KO-22-136-0
Wiley ID 747120