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anti-endo-4-cyano-1,3,3a,4,6,6a-hexahydro-2-(4-methylphenyl)-5-methyl-6-phenyl-2H,5H-pyrrolo[3,4-c]pyrrol-1,3-dione
SpectraBase Compound ID DEBt2ZzRFZO
InChI InChI=1S/C21H19N3O2/c1-13-8-10-15(11-9-13)24-20(25)17-16(12-22)23(2)19(18(17)21(24)26)14-6-4-3-5-7-14/h3-11,16-19H,1-2H3
InChIKey JCGYPVYGWLSUNO-UHFFFAOYSA-N
Mol Weight 345.4 g/mol
Molecular Formula C21H19N3O2
Exact Mass 345.147727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K59KqmxnTwZ
Name 4-Cyano-5-methyl-6-phenyl-2-(para-tolyl)perhydropyrrolo(3,4-c)pyrrole-1,3-dione (3a,4-cis-6,6a-cis)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19N3O2
InChI InChI=1S/C21H19N3O2/c1-13-8-10-15(11-9-13)24-20(25)17-16(12-22)23(2)19(18(17)21(24)26)14-6-4-3-5-7-14/h3-11,16-19H,1-2H3
InChIKey JCGYPVYGWLSUNO-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 345.402 g/mol
SMILES Cc1ccc(cc1)N1C(=O)C2C(C1=O)C(c1ccccc1)N(C2C#N)C
SPLASH splash10-0a4i-0902000000-eaf5e0082c30dc5bfc79
Source of Spectrum SRH-2022-10232-0
Synonyms (4s,6r)-4-cyano-5-methyl-6-phenyl-2-(para-tolyl)perhydropyrrolo(3,4-c)pyrrole-1,3-dione
Wiley ID 1831853