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

*Links on SpectraBase are not permalinks.
3a,4,6,6a-tetrahydro-2-methyl-4-cyano-6-trans--(2-phenylethenyl)-1H,3H-pyrrolo[3,4-c]pyrrol-1,3-dione
SpectraBase Compound ID FbwVa31P6xW
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+/t11?,12?,13-,14-/m1/s1
InChIKey NKBCEDONNKUJOG-KXCWQOQQSA-N
Mol Weight 281.31 g/mol
Molecular Formula C16H15N3O2
Exact Mass 281.116427 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 8GQRwPahXgF
Name 3a,4,6,6a-tetrahydro-2-methyl-4-cyano-6-trans--(2-phenylethenyl)-1H,3H-pyrrolo[3,4-c]pyrrol-1,3-dione
CAS Registry Number 107598-14-1
Comments Less than 3 mono-isotopic peaks
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+/t11?,12?,13-,14-/m1/s1
InChIKey NKBCEDONNKUJOG-KXCWQOQQSA-N
Molecular Weight 281.315 g/mol
SMILES N1C([C@@]2([C@@](C1\C=C\c1ccccc1)(C(N(C2=O)C)=O)[H])[H])C#N
SPLASH splash10-00yi-0950000000-b30fa2c6803c635042f2
Source of Spectrum AJ-59-1817-9
Synonyms (3aS,6aS)-5-methyl-4,6-dioxo-3-[(E)-2-phenylethenyl]octahydropyrrolo[3,4-c]pyrrole-1-carbonitrile
Wiley ID 1284918