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9-Chloranyl-2-methyl-7-phenyl-5H-[1,2,4]triazolo[5,1-a][2,4]benzodiazepine
SpectraBase Compound ID G6w0vosMFaB
InChI InChI=1S/C17H13ClN4/c1-11-20-17-14-8-7-13(18)9-15(14)16(19-10-22(17)21-11)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKey IOLPAFSRDBQGHS-UHFFFAOYSA-N
Mol Weight 308.77 g/mol
Molecular Formula C17H13ClN4
Exact Mass 308.082874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0Kvi6wGfYt
Name 9-Chloranyl-2-methyl-7-phenyl-5H-[1,2,4]triazolo[5,1-a][2,4]benzodiazepine
CAS Registry Number 66492-65-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13ClN4
InChI InChI=1S/C17H13ClN4/c1-11-20-17-14-8-7-13(18)9-15(14)16(19-10-22(17)21-11)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKey IOLPAFSRDBQGHS-UHFFFAOYSA-N
Molecular Weight 308.772 g/mol
SMILES c-12[n](nc(n2)C)CN=C(c2c1ccc(Cl)c2)c1ccccc1
SPLASH splash10-001i-0093000000-e749d8e9d0c04cf12f7b
Source of Spectrum J-44-87-0
Wiley ID 1309733