For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Pyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione, 3-(4-chlorophenyl)tetrahydro-2,5-dimethyl-1-phenyl-, (3.alpha.,3a.alpha.,6a.alpha.)-
SpectraBase Compound ID Kdo9Gjc90r4
InChI InChI=1S/C19H18ClN3O2/c1-21-18(24)15-16(12-8-10-13(20)11-9-12)22(2)23(17(15)19(21)25)14-6-4-3-5-7-14/h3-11,15-17H,1-2H3/t15-,16-,17+/m1/s1
InChIKey RDDIIVCJVOUYLS-ZACQAIPSSA-N
Mol Weight 355.83 g/mol
Molecular Formula C19H18ClN3O2
Exact Mass 355.108755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CprDSB380lS
Name Pyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione, 3-(4-chlorophenyl)tetrahydro-2,5-dimethyl-1-phenyl-, (3.alpha.,3a.alpha.,6a.alpha.)-
CAS Registry Number 118205-67-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18ClN3O2
InChI InChI=1S/C19H18ClN3O2/c1-21-18(24)15-16(12-8-10-13(20)11-9-12)22(2)23(17(15)19(21)25)14-6-4-3-5-7-14/h3-11,15-17H,1-2H3/t15-,16-,17+/m1/s1
InChIKey RDDIIVCJVOUYLS-ZACQAIPSSA-N
Molecular Weight 355.825 g/mol
SMILES [C@]12([C@](C(=O)N(C2=O)C)([C@@](c2ccc(cc2)Cl)(N(N1c1ccccc1)C)[H])[H])[H]
SPLASH splash10-0a4i-0039000000-95ec1fe5162d8623ba19
Source of Spectrum F-43-5883-28
Synonyms (3S,3aR,6aS)-3-(4-chlorophenyl)-2,5-dimethyl-1-phenyltetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione 2-Phenyl-3,7-dimethyl-4-(4-chlorophenyl)-6,8-dioxo-2,3,7-triazabicyclo[3.3.0]octane
Wiley ID 1345224