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4-Thiazolecarboxylic acid, 2-[[[[2-[(formylamino)methyl]-4-thiazolyl]carbonyl]amino]methyl]-
SpectraBase Compound ID 5Tk0R3iMubo
InChI InChI=1S/C11H10N4O4S2/c16-5-12-1-8-14-6(3-20-8)10(17)13-2-9-15-7(4-21-9)11(18)19/h3-5H,1-2H2,(H,12,16)(H,13,17)(H,18,19)
InChIKey FSPSAGRPAGTQDK-UHFFFAOYSA-N
Mol Weight 326.35 g/mol
Molecular Formula C11H10N4O4S2
Exact Mass 326.014347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVO3v210vDQ
Name 4-Thiazolecarboxylic acid, 2-[[[[2-[(formylamino)methyl]-4-thiazolyl]carbonyl]amino]methyl]-
Alternate Name(s) 2-[2'-(formamidomethyl)thiazole-4'-carboxamidomethyl]thiazole-4-carboxylic acid 2-{[({2-[(formylamino)methyl]-1,3-thiazol-4-yl}carbonyl)amino]methyl}-1,3-thiazole-4-carboxylic acid
CAS Registry Number 120455-31-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10N4O4S2
InChI InChI=1S/C11H10N4O4S2/c16-5-12-1-8-14-6(3-20-8)10(17)13-2-9-15-7(4-21-9)11(18)19/h3-5H,1-2H2,(H,12,16)(H,13,17)(H,18,19)
InChIKey FSPSAGRPAGTQDK-UHFFFAOYSA-N
Molecular Weight 326.345 g/mol
SMILES N(C=O)Cc1nc(C(NCc2nc(C(=O)O)cs2)=O)cs1
SPLASH splash10-0002-9500000000-4034a27e909cf9dc4183
Source of Spectrum F-44-5841-13
Wiley ID 1324332