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3H-1,5-Benzodiazepin-3-one, 2,4-dimethyl-, O-[(6-bromo-1,3-benzodioxol-5-yl)methyl]oxime
SpectraBase Compound ID J7TexnUnukW
InChI InChI=1S/C19H16BrN3O3/c1-11-19(12(2)22-16-6-4-3-5-15(16)21-11)23-26-9-13-7-17-18(8-14(13)20)25-10-24-17/h3-8H,9-10H2,1-2H3
InChIKey BZJIPJXAFLUVOK-UHFFFAOYSA-N
Mol Weight 414.26 g/mol
Molecular Formula C19H16BrN3O3
Exact Mass 413.037504 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChmKe7YwhUj
Name 3H-1,5-Benzodiazepin-3-one, 2,4-dimethyl-, O-[(6-bromo-1,3-benzodioxol-5-yl)methyl]oxime
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Formula C19H16BrN3O3
InChI InChI=1S/C19H16BrN3O3/c1-11-19(12(2)22-16-6-4-3-5-15(16)21-11)23-26-9-13-7-17-18(8-14(13)20)25-10-24-17/h3-8H,9-10H2,1-2H3
InChIKey BZJIPJXAFLUVOK-UHFFFAOYSA-N
Molecular Weight 414.259 g/mol
SMILES c1c2c(ccc1)N=C(C)C(=NOCc1cc3c(cc1Br)OCO3)C(=N2)C
SPLASH splash10-02t9-3490000000-ba5a17bee393e4683c48
Source of Spectrum IY-1-4579-2
Synonyms N-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]-2,4-dimethyl-1,5-benzodiazepin-3-imine N-[(6-bromanyl-1,3-benzodioxol-5-yl)methoxy]-2,4-dimethyl-1,5-benzodiazepin-3-imine
Wiley ID 1653775