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

*Links on SpectraBase are not permalinks.
1-Methyl-3-phenyl-6-anilino-3,7-diazabicyclo[3.3.0]oct-6-ene-2,4-dione
SpectraBase Compound ID Fx6EebNwsPX
InChI InChI=1S/C19H17N3O2/c1-19-12-20-16(21-13-8-4-2-5-9-13)15(19)17(23)22(18(19)24)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,20,21)
InChIKey CDECLZZPBMNXJI-UHFFFAOYSA-N
Mol Weight 319.36 g/mol
Molecular Formula C19H17N3O2
Exact Mass 319.132077 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 1BMkaxyDdNk
Name 1-Methyl-3-phenyl-6-anilino-3,7-diazabicyclo[3.3.0]oct-6-ene-2,4-dione
Alternate Name(s) 6-anilino-3a-methyl-2-phenyl-4,6a-dihydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17N3O2
InChI InChI=1S/C19H17N3O2/c1-19-12-20-16(21-13-8-4-2-5-9-13)15(19)17(23)22(18(19)24)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,20,21)
InChIKey CDECLZZPBMNXJI-UHFFFAOYSA-N
Molecular Weight 319.364 g/mol
SMILES N(C=1C2C(C(N(c3ccccc3)C2=O)=O)(CN1)C)c1ccccc1
SPLASH splash10-014i-0009000000-5eb6ee9af9eb7cf395f5
Source of Spectrum F-56-7731-13
Wiley ID 858640