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3a,4,6,6a-tetrahydro-2-methyl-4-cyano-6-(2-phenylethenyl)-1H,3H-pyrrolo[3,4-c]pyrrol-1,3-dione
SpectraBase Compound ID HOumXFvvNMM
InChI InChI=1S/C16H15N3O2/c1-19-15(20)13-11(8-7-10-5-3-2-4-6-10)18-12(9-17)14(13)16(19)21/h2-8,11-14,18H,1H3/b8-7+
InChIKey NKBCEDONNKUJOG-BQYQJAHWSA-N
Mol Weight 281.31 g/mol
Molecular Formula C16H15N3O2
Exact Mass 281.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cbjias835uA
Name 3a,4,6,6a-tetrahydro-2-methyl-4-cyano-6-(2-phenylethenyl)-1H,3H-pyrrolo[3,4-c]pyrrol-1,3-dione
Alternate Name(s) 5-Methyl-4,6-dioxo-3-[(E)-2-phenylethenyl]octahydropyrrolo[3,4-c]pyrrole-1-carbonitrile
CAS Registry Number 107554-54-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3O2
InChI InChI=1S/C16H15N3O2/c1-19-15(20)13-11(8-7-10-5-3-2-4-6-10)18-12(9-17)14(13)16(19)21/h2-8,11-14,18H,1H3/b8-7+
InChIKey NKBCEDONNKUJOG-BQYQJAHWSA-N
Molecular Weight 281.315 g/mol
SMILES N1C(C2C(C1\C=C\c1ccccc1)C(N(C2=O)C)=O)C#N
SPLASH splash10-014i-1930000000-e32abb86242caf9278ab
Source of Spectrum AJ-59-1817-11
Wiley ID 1284919