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Brotizolam

View entire compound with spectra: 1 NMR, 2 FTIR, 1 Raman, and 8 MS (GC)

Brotizolam
SpectraBase Compound ID IWGFNoBjPJD
InChI InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3
InChIKey UMSGKTJDUHERQW-UHFFFAOYSA-N
Mol Weight 393.69 g/mol
Molecular Formula C15H10BrClN4S
Exact Mass 391.949808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID By5d4BRbRgt
Name Brotizolam
Catalog Number 27779
CAS Registry Number 57801-81-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H10BrClN4S
InChI InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3
InChIKey UMSGKTJDUHERQW-UHFFFAOYSA-N
Molecular Weight 393.690 g/mol
SMILES c1-2c(C(=NCc3[n]2c(nn3)C)c2ccccc2Cl)cc(s1)Br
SPLASH splash10-0007-3879000000-1b19b5086a57f27bfd3d
Source of Spectrum CAY-2023-2093-0
Wiley ID 1890029