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9-Bromo-8,10-dimethyl-5-phenyl-1,3-dihydro-2H-pyrido[3',2':4,5]thieno[3,2-e][1,4]diazepin-2-one
SpectraBase Compound ID CuRIzCGFTvR
InChI InChI=1S/C18H14BrN3OS/c1-9-13-16-17(24-18(13)21-10(2)14(9)19)15(20-8-12(23)22-16)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,22,23)
InChIKey PAPDQIVCMLWQHH-UHFFFAOYSA-N
Mol Weight 400.29 g/mol
Molecular Formula C18H14BrN3OS
Exact Mass 399.004096 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cvWvvtqnQ
Name 9-Bromo-8,10-dimethyl-5-phenyl-1,3-dihydro-2H-pyrido[3',2':4,5]thieno[3,2-e][1,4]diazepin-2-one
Appearance Colorless crystals
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Formula C18H14BrN3OS
InChI InChI=1S/C18H14BrN3OS/c1-9-13-16-17(24-18(13)21-10(2)14(9)19)15(20-8-12(23)22-16)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,22,23)
InChIKey PAPDQIVCMLWQHH-UHFFFAOYSA-N
Instrument Name Kratos MS-30
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2936
Molecular Weight 400.294 g/mol
SMILES N1C(CN=C(c2c1c1c(s2)nc(c(c1C)Br)C)c1ccccc1)=O
SPLASH splash10-0h94-6139400000-4d42bf46dc244766043a
Source of Spectrum Y-54-3205-2c
Wiley ID 1878631