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3-Carboxamido-8-methyl-5-(methylthio)-1,2,3-triazolo[1,5-a]-(1,3,5)-benzotriazepine
SpectraBase Compound ID KWt6iTcBwwx
InChI InChI=1S/C12H12N6OS/c1-6-3-4-8-7(5-6)14-12(20-2)15-11-9(10(13)19)16-17-18(8)11/h3-5H,1-2H3,(H2,13,19)(H,14,15)
InChIKey WCMHQIRJAJVEFO-UHFFFAOYSA-N
Mol Weight 288.33 g/mol
Molecular Formula C12H12N6OS
Exact Mass 288.07933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gb0nfJEbotw
Name 3-Carboxamido-8-methyl-5-(methylthio)-1,2,3-triazolo[1,5-a]-(1,3,5)-benzotriazepine
Comments Less than 3 mono-isotopic peaks
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Formula C12H12N6OS
InChI InChI=1S/C12H12N6OS/c1-6-3-4-8-7(5-6)14-12(20-2)15-11-9(10(13)19)16-17-18(8)11/h3-5H,1-2H3,(H2,13,19)(H,14,15)
InChIKey WCMHQIRJAJVEFO-UHFFFAOYSA-N
Molecular Weight 288.329 g/mol
SMILES NC(c1nn[n]-2c1N=C(Nc1c2ccc(c1)C)SC)=O
SPLASH splash10-0006-9010000000-5215aba660462d67d55e
Source of Spectrum Y-39-1295-7
Wiley ID 1528702