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3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-1-benzopyran-4-one
SpectraBase Compound ID 8x1UIlT49vB
InChI InChI=1S/C25H24N2O4/c1-3-29-22-12-16-14-26-24(18-15-31-21-10-6-5-8-17(21)25(18)28)19-9-7-11-27(19)20(16)13-23(22)30-4-2/h5-13,15,24,26H,3-4,14H2,1-2H3
InChIKey TYSGOOQFEPLJAB-UHFFFAOYSA-N
Mol Weight 416.48 g/mol
Molecular Formula C25H24N2O4
Exact Mass 416.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4s8F0Sq0LWZ
Name 3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-1-benzopyran-4-one
Alternate Name(s) 3-(8,9-Diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-4H-chromen-4-one 3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)chromen-4-one 3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)chromone
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Formula C25H24N2O4
InChI InChI=1S/C25H24N2O4/c1-3-29-22-12-16-14-26-24(18-15-31-21-10-6-5-8-17(21)25(18)28)19-9-7-11-27(19)20(16)13-23(22)30-4-2/h5-13,15,24,26H,3-4,14H2,1-2H3
InChIKey TYSGOOQFEPLJAB-UHFFFAOYSA-N
Molecular Weight 416.477 g/mol
SMILES N1Cc2cc(c(cc2-[n]2c(C1C=1C(c3ccccc3OC1)=O)ccc2)OCC)OCC
SPLASH splash10-000b-6935100000-f56c9644ffee5209556f
Wiley ID 1443990