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3-Carboxamido-8-methoxy-5-(methylthio)-1,2,3-triazolo[1,5-a]-(1,3,5)-benzotriazepine
SpectraBase Compound ID 3vUSQjXk1Vm
InChI InChI=1S/C12H12N6O2S/c1-20-6-3-4-8-7(5-6)14-12(21-2)15-11-9(10(13)19)16-17-18(8)11/h3-5H,1-2H3,(H2,13,19)(H,14,15)
InChIKey ADZLWOAFBNXLAI-UHFFFAOYSA-N
Mol Weight 304.33 g/mol
Molecular Formula C12H12N6O2S
Exact Mass 304.074245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BeLde2Geytw
Name 3-Carboxamido-8-methoxy-5-(methylthio)-1,2,3-triazolo[1,5-a]-(1,3,5)-benzotriazepine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N6O2S
InChI InChI=1S/C12H12N6O2S/c1-20-6-3-4-8-7(5-6)14-12(21-2)15-11-9(10(13)19)16-17-18(8)11/h3-5H,1-2H3,(H2,13,19)(H,14,15)
InChIKey ADZLWOAFBNXLAI-UHFFFAOYSA-N
Molecular Weight 304.328 g/mol
SMILES NC(c1nn[n]-2c1N=C(Nc1c2ccc(c1)OC)SC)=O
SPLASH splash10-0006-9002000000-77a36fd00175fbc344fb
Source of Spectrum Y-39-1295-7
Wiley ID 1528701