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Pyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione, 3-benzoyltetrahydro-2,5-dimethyl-1-phenyl-, (3.alpha.,3a.alpha.,6a.alpha.)-
SpectraBase Compound ID ESh72H8ONF7
InChI InChI=1S/C20H19N3O3/c1-21-19(25)15-16(18(24)13-9-5-3-6-10-13)22(2)23(17(15)20(21)26)14-11-7-4-8-12-14/h3-12,15-17H,1-2H3/t15-,16+,17+/m1/s1
InChIKey XXBMKLLAGOISNE-IKGGRYGDSA-N
Mol Weight 349.39 g/mol
Molecular Formula C20H19N3O3
Exact Mass 349.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMfteBWXmRd
Name Pyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione, 3-benzoyltetrahydro-2,5-dimethyl-1-phenyl-, (3.alpha.,3a.alpha.,6a.alpha.)-
CAS Registry Number 118158-02-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19N3O3
InChI InChI=1S/C20H19N3O3/c1-21-19(25)15-16(18(24)13-9-5-3-6-10-13)22(2)23(17(15)20(21)26)14-11-7-4-8-12-14/h3-12,15-17H,1-2H3/t15-,16+,17+/m1/s1
InChIKey XXBMKLLAGOISNE-IKGGRYGDSA-N
Molecular Weight 349.390 g/mol
SMILES [C@]12([C@](C(=O)N(C2=O)C)([C@@](C(=O)c2ccccc2)(N(N1c1ccccc1)C)[H])[H])[H]
SPLASH splash10-0006-0191000000-d3c6bec6f52dddc33ad3
Source of Spectrum F-43-5883-29
Synonyms (3S,3aR,6aS)-3-benzoyl-2,5-dimethyl-1-phenyltetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione 2-Phenyl-3,7-dimethyl-4-benzoyl-6,8-dioxo-2,3,7-triazabicyclo[3.3.0]octane
Wiley ID 1341417