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3-(2-Mercaptoimidazol-4-yl)propanoic acid
SpectraBase Compound ID KR4kcvcAZ8f
InChI InChI=1S/C6H8N2O2S/c9-5(10)2-1-4-3-7-6(11)8-4/h3H,1-2H2,(H,9,10)(H2,7,8,11)
InChIKey GJJYHCODZSYWKO-UHFFFAOYSA-N
Mol Weight 172.2 g/mol
Molecular Formula C6H8N2O2S
Exact Mass 172.030649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3du0qIhl3Fh
Name 3-(2-Mercaptoimidazol-4-yl)propanoic acid
CAS Registry Number 4708-67-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H8N2O2S
InChI InChI=1S/C6H8N2O2S/c9-5(10)2-1-4-3-7-6(11)8-4/h3H,1-2H2,(H,9,10)(H2,7,8,11)
InChIKey GJJYHCODZSYWKO-UHFFFAOYSA-N
Molecular Weight 172.202 g/mol
SMILES [nH]1cc(nc1S)CCC(=O)O
SPLASH splash10-0fk9-0900000000-7bd8f9456b9cb04ed6f0
Source of Spectrum J-57-5012-18
Synonyms 3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid 3-(2-Thioxo-1,3-dihydroimidazol-4-yl)propanoic acid 3-(2-Thioxo-4-imidazolin-4-yl)propionic acid
Wiley ID 1168256