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8,9-Diethoxy-4-(4-fluoranyl-3-methoxy-phenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
SpectraBase Compound ID CWHQE9BraE1
InChI InChI=1S/C23H25FN2O3/c1-4-28-21-12-16-14-25-23(15-8-9-17(24)20(11-15)27-3)18-7-6-10-26(18)19(16)13-22(21)29-5-2/h6-13,23,25H,4-5,14H2,1-3H3
InChIKey AGRIWUOLHCLZRR-UHFFFAOYSA-N
Mol Weight 396.46 g/mol
Molecular Formula C23H25FN2O3
Exact Mass 396.184921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 245hFjglxZs
Name 8,9-Diethoxy-4-(4-fluoranyl-3-methoxy-phenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
Alternate Name(s) 8,9-Diethoxy-4-(4-fluoro-3-methoxy-phenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25FN2O3
InChI InChI=1S/C23H25FN2O3/c1-4-28-21-12-16-14-25-23(15-8-9-17(24)20(11-15)27-3)18-7-6-10-26(18)19(16)13-22(21)29-5-2/h6-13,23,25H,4-5,14H2,1-3H3
InChIKey AGRIWUOLHCLZRR-UHFFFAOYSA-N
Molecular Weight 396.462 g/mol
SMILES N1Cc2c(-[n]3c(C1c1cc(OC)c(cc1)F)ccc3)cc(c(c2)OCC)OCC
SPLASH splash10-00di-2693000000-69a5e51ba39b84d32df1
Wiley ID 1444524