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2-Benzoyl-6-phenyl-4,4a,5,7,7a,8-hexahydropyrazolo[4,5-e]isoindole-5,7-dione
SpectraBase Compound ID 5mt2dWB33Rd
InChI InChI=1S/C22H16N3O3/c26-19-11-18-16(12-24(23-18)22(27)15-9-5-2-6-10-15)17-13-25(28)21(20(17)19)14-7-3-1-4-8-14/h1-10,12,17H,11,13H2
InChIKey QQKRSUIOMNUIFW-UHFFFAOYSA-N
Mol Weight 370.39 g/mol
Molecular Formula C22H16N3O3
Exact Mass 370.119166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANGhzjhz8SJ
Name 2-Benzoyl-6-phenyl-4,4a,5,7,7a,8-hexahydropyrazolo[4,5-e]isoindole-5,7-dione
Comments Note: The molecular formula of the structure shown is C22H16N3O3 - which differs from the formula reported for the mass spectrum (C22H17N3O3)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17N3O3
InChI InChI=1S/C22H16N3O3/c26-19-11-18-16(12-24(23-18)22(27)15-9-5-2-6-10-15)17-13-25(28)21(20(17)19)14-7-3-1-4-8-14/h1-10,12,17H,11,13H2
InChIKey QQKRSUIOMNUIFW-UHFFFAOYSA-N
Molecular Weight 370.388 g/mol
SMILES C=1([N](CC2c3c(CC(C12)=O)n[n](c3)C(c1ccccc1)=O)=O)c1ccccc1
SPLASH splash10-0a4i-3901000000-094cdc87790b8492f3c8
Source of Spectrum F-48-8114-34
Synonyms 1-Methyl-7-phenyl-5,5a,8a,8b-tetrahydro-4H-pyrrolo[3,4-e]indazole-6,8-dione
Wiley ID 1355047