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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 4w4F6Hd07TL
Name Brotizolam-M (HO-) AC
Classification Tranquilizer
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Exact Mass 449.955287514 u
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
Ionization Type Electron Ionization (EI)
Molecular Weight 451.726 g/mol
SMILES c1(cc2C(=NCc3[n](c(nn3)COC(C)=O)-c2s1)c1ccccc1Cl)Br
SPLASH splash10-0a4i-1223900000-173da7c58c24a0b7930d
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_2052