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2-keto-1H-thien[3,4-d]imidazole-3-carboxylic acid tert-butyl ester
SpectraBase Compound ID AQn7l8IGhZA
InChI InChI=1S/C10H12N2O3S/c1-10(2,3)15-9(14)12-7-5-16-4-6(7)11-8(12)13/h4-5H,1-3H3,(H,11,13)
InChIKey ZZLLZMBMZKORTM-UHFFFAOYSA-N
Mol Weight 240.28 g/mol
Molecular Formula C10H12N2O3S
Exact Mass 240.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DF9WXbpXdMJ
Name 2-keto-1H-thien[3,4-d]imidazole-3-carboxylic acid tert-butyl ester
CAS Registry Number 108180-68-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12N2O3S
InChI InChI=1S/C10H12N2O3S/c1-10(2,3)15-9(14)12-7-5-16-4-6(7)11-8(12)13/h4-5H,1-3H3,(H,11,13)
InChIKey ZZLLZMBMZKORTM-UHFFFAOYSA-N
Molecular Weight 240.277 g/mol
SMILES N1c2c(N(C1=O)C(OC(C)(C)C)=O)csc2
SPLASH splash10-052f-6910000000-d72db4d3deb34e7834e4
Source of Spectrum Y-23-1106-7
Synonyms 2-Oxo-1H-thieno[3,4-d]imidazole-3-carboxylic acid tert-butyl ester tert-Butyl 2-oxidanylidene-1H-thieno[3,4-d]imidazole-3-carboxylate tert-Butyl 2-oxo-1H-thieno[3,4-d]imidazole-3-carboxylate
Wiley ID 1242427