Dataset

4-CYANO-5-METHYL-6-PHENYL-2-(PARA-TOLYL)PERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE (3A,4-TRANS-6,6A-TRANS); EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010233 contains the MS mass spectrum of 4-CYANO-5-METHYL-6-PHENYL-2-(PARA-TOLYL)PERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE (3A,4-TRANS-6,6A-TRANS) with the InChIkey JCGYPVYGWLSUNO-WJFTUGDTSA-N.

Chemical Information

molecular Image
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/t16-,17+,18+,19+/m0/s1
SMILES Cc(c4)ccc(c4)N(C(=O)1)C(=O)C([H])(C([H])(c(c3)cccc3)2)C([H])1C([H])(C#N)N(C)2
InChI Key JCGYPVYGWLSUNO-WJFTUGDTSA-N
Molecular Formula C21H19N3O2
Exact Mass 345.148 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP010233
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1R,3S,3aR,6aS)-2-methyl-5-(4-methylphenyl)-4,6-dioxo-3-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-1-carbonitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13971154 pubchem
    The data in this table is sourced from UniChem at EBI.