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5-phenyl-3a,4-dihydro-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-1-one
SpectraBase Compound ID 9Q7XWniA0ZV
InChI InChI=1S/C16H12N4O/c21-16-19-18-15-10-13(11-6-2-1-3-7-11)17-12-8-4-5-9-14(12)20(15)16/h1-9,15H,10H2
InChIKey KMRPVNLAJKRCID-UHFFFAOYSA-N
Mol Weight 276.3 g/mol
Molecular Formula C16H12N4O
Exact Mass 276.101111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Ke6thWOCnA
Name 5-phenyl-3a,4-dihydro-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N4O
InChI InChI=1S/C16H12N4O/c21-16-19-18-15-10-13(11-6-2-1-3-7-11)17-12-8-4-5-9-14(12)20(15)16/h1-9,15H,10H2
InChIKey KMRPVNLAJKRCID-UHFFFAOYSA-N
Molecular Weight 276.299 g/mol
SMILES C12N(C(N=N2)=O)c2c(N=C(C1)c1ccccc1)cccc2
SPLASH splash10-004i-0090000000-814fe83d7489b7771754
Source of Spectrum Y-28-367-0
Wiley ID 1280084