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5-(8-Ethynyl-6-(2-Fluorophenyl)-4H-Benzo-[f]-Imidazo-[1,5-a]-[1,4]-Diazepine-3-yl)-3-Isopropyl-1,2,4-Oxadiazole
SpectraBase Compound ID BUxTQKsyhEk
InChI InChI=1S/C24H18FN5O/c1-4-15-9-10-19-17(11-15)21(16-7-5-6-8-18(16)25)26-12-20-22(27-13-30(19)20)24-28-23(14(2)3)29-31-24/h1,5-11,13-14H,12H2,2-3H3
InChIKey KUDYVRYNXMLFKW-UHFFFAOYSA-N
Mol Weight 411.44 g/mol
Molecular Formula C24H18FN5O
Exact Mass 411.149538 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11oa52U4Ya
Name 5-(8-Ethynyl-6-(2-Fluorophenyl)-4H-Benzo-[f]-Imidazo-[1,5-a]-[1,4]-Diazepine-3-yl)-3-Isopropyl-1,2,4-Oxadiazole
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Formula C24H18FN5O
InChI InChI=1S/C24H18FN5O/c1-4-15-9-10-19-17(11-15)21(16-7-5-6-8-18(16)25)26-12-20-22(27-13-30(19)20)24-28-23(14(2)3)29-31-24/h1,5-11,13-14H,12H2,2-3H3
InChIKey KUDYVRYNXMLFKW-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 411.440 g/mol
Reported Formula C24H18FN5O
SMILES c1(noc(n1)-c1nc[n]-2c1CN=C(c1c2ccc(c1)C#C)c1c(cccc1)F)C(C)C
SPLASH splash10-0059-2339100000-250f76c3c058d77dfe94
Source of Spectrum US2012295892A1
Wiley ID 1846707