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Brotizolam-M (HO-) AC

View entire compound with spectra: 2 MS (GC)

Brotizolam-M (HO-) AC
SpectraBase Compound ID 7Qgs8ieBdGR
InChI InChI=1S/C17H12BrClN4O2S/c1-9(24)25-8-15-22-21-14-7-20-16(10-4-2-3-5-12(10)19)11-6-13(18)26-17(11)23(14)15/h2-6H,7-8H2,1H3
InChIKey QTEDYGOWEVNMSH-UHFFFAOYSA-N
Mol Weight 451.73 g/mol
Molecular Formula C17H12BrClN4O2S
Exact Mass 449.955288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6u8hljZCc7u
Name 2-Bromo-4-(o-chlorophenyl)-9-(acetoxymethyl)-6H-thieno[3,2-f](1,2,4)triazolo[4,3-a](1,4)diazepine
Alternate Name(s) Acetoxy-brotizolam derivative [2-bromo-4-(2-chlorophenyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9-yl]methyl acetate
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Formula C17H12BrClN4O2S
InChI InChI=1S/C17H12BrClN4O2S/c1-9(24)25-8-15-22-21-14-7-20-16(10-4-2-3-5-12(10)19)11-6-13(18)26-17(11)23(14)15/h2-6H,7-8H2,1H3
InChIKey QTEDYGOWEVNMSH-UHFFFAOYSA-N
Molecular Weight 451.726 g/mol
SMILES c1-2c(C(=NCc3[n]2c(nn3)COC(=O)C)c2c(Cl)cccc2)cc(s1)Br
SPLASH splash10-0pb9-0010900000-6c0d322014563179c2cc
Source of Spectrum CJ-0-48-0
Wiley ID 1387549