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 Google Search
Mol Weight	281.31 g/mol
Molecular Formula	C16H15N3O2
Exact Mass	281.116427 g/mol

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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
Alternate Name(s)	(3aS,6aS)-5-methyl-4,6-dioxo-3-[(E)-2-phenylethenyl]octahydropyrrolo[3,4-c]pyrrole-1-carbonitrile
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
Wiley ID	1284918