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(Z)-5-(4-fluorophenyl)-1-isopropyl-3-(4-methylbenzylidene)-1H-benzo[e][1,4]diazepin-2(3H)-one
SpectraBase Compound ID CBzzrg55v1z
InChI InChI=1S/C26H23FN2O/c1-17(2)29-24-7-5-4-6-22(24)25(20-12-14-21(27)15-13-20)28-23(26(29)30)16-19-10-8-18(3)9-11-19/h4-17H,1-3H3/b23-16-
InChIKey IAGQRCYXCZZIBG-KQWNVCNZSA-N
Mol Weight 398.48 g/mol
Molecular Formula C26H23FN2O
Exact Mass 398.179442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Azwz6lHQKoq
Name (Z)-5-(4-fluorophenyl)-1-isopropyl-3-(4-methylbenzylidene)-1H-benzo[e][1,4]diazepin-2(3H)-one
Appearance Yellow solid
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Formula C26H23FN2O
InChI InChI=1S/C26H23FN2O/c1-17(2)29-24-7-5-4-6-22(24)25(20-12-14-21(27)15-13-20)28-23(26(29)30)16-19-10-8-18(3)9-11-19/h4-17H,1-3H3/b23-16-
InChIKey IAGQRCYXCZZIBG-KQWNVCNZSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2486
Molecular Weight 398.481 g/mol
SMILES c1(F)ccc(cc1)C=1c2c(N(C(\C(N1)=C\c1ccc(cc1)C)=O)C(C)C)cccc2
SPLASH splash10-0uxv-4390000000-bc4006543e1ce26e7540
Source of Spectrum Y-53-SM3-DZPI-01, 5k
Thin-Layer Chromatography Rf = 0.24 (hexane/EtOAc, 8:2)
Wiley ID 1876688