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(Z)-5-(4-fluorophenyl)-3-(4-methoxybenzylidene)-1-isopropyl-1H-benzo[e][1,4]diazepin-2(3H)-one
SpectraBase Compound ID 6VsR8fOBMv3
InChI InChI=1S/C26H23FN2O2/c1-17(2)29-24-7-5-4-6-22(24)25(19-10-12-20(27)13-11-19)28-23(26(29)30)16-18-8-14-21(31-3)15-9-18/h4-17H,1-3H3/b23-16-
InChIKey HUENSVLFCZLLRJ-KQWNVCNZSA-N
Mol Weight 414.48 g/mol
Molecular Formula C26H23FN2O2
Exact Mass 414.174356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Wn2wbRhdW
Name (Z)-5-(4-fluorophenyl)-3-(4-methoxybenzylidene)-1-isopropyl-1H-benzo[e][1,4]diazepin-2(3H)-one
Appearance Yellow solid
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Formula C26H23FN2O2
InChI InChI=1S/C26H23FN2O2/c1-17(2)29-24-7-5-4-6-22(24)25(19-10-12-20(27)13-11-19)28-23(26(29)30)16-18-8-14-21(31-3)15-9-18/h4-17H,1-3H3/b23-16-
InChIKey HUENSVLFCZLLRJ-KQWNVCNZSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2486
Molecular Weight 414.480 g/mol
SMILES c12c(C(=N\C(C(N2C(C)C)=O)=C\c2ccc(cc2)OC)c2ccc(cc2)F)cccc1
SPLASH splash10-0uxs-3490000000-3777c2ef41fe31bd7aa3
Source of Spectrum Y-53-SM3-5l, DZPI-02
Thin-Layer Chromatography Rf = 0.24 (hexane/EtOAc, 8:2)
Wiley ID 1876687