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8-Chloro-3-methyl-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepinium chloride
SpectraBase Compound ID 4U2uhUn7Fm1
InChI InChI=1S/C17H14ClN4.ClH/c1-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(16)11-20-21;/h2-9,11H,10H2,1H3;1H/q+1;/p-1
InChIKey DYHVYMFYXONVPX-UHFFFAOYSA-M
Mol Weight 345.23 g/mol
Molecular Formula C17H14Cl2N4
Exact Mass 344.059552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yQ8K2W6XGu
Name 8-Chloro-3-methyl-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepinium chloride
CAS Registry Number 56167-84-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14Cl2N4
InChI InChI=1S/C17H14ClN4.ClH/c1-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(16)11-20-21;/h2-9,11H,10H2,1H3;1H/q+1;/p-1
InChIKey DYHVYMFYXONVPX-UHFFFAOYSA-M
Molecular Weight 345.233 g/mol
SMILES [Cl-].c12[n+](cn[n]2C)-c2c(C(=NC1)c1ccccc1)cc(cc2)Cl
SPLASH splash10-0a4l-0092000000-449e0f7bac32b9da7a02
Source of Spectrum J-44-2692-0
Synonyms 8-Chloranyl-3-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-11-ium chloride 8-Chloro-3-methyl-6-phenyl-3H,4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-11-ium chloride 8-Chloro-3-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-11-ium chloride
Wiley ID 1337736