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Spiro[cyclohexane-1,1'(2'H)-pyrrolo[3,4-c]pyrrole]-3'-carbonitrile, hexahydro-5'-methyl-4',6'-dioxo-, (3'.alpha.,3'a.beta.,6'a.beta.)-
SpectraBase Compound ID cCde84C6hu
InChI InChI=1S/C13H17N3O2/c1-16-11(17)9-8(7-14)15-13(10(9)12(16)18)5-3-2-4-6-13/h8-10,15H,2-6H2,1H3/t8-,9+,10-/m1/s1
InChIKey GAPCKPWCLDUMNZ-KXUCPTDWSA-N
Mol Weight 247.3 g/mol
Molecular Formula C13H17N3O2
Exact Mass 247.132077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BteYcdAZraX
Name Spiro[cyclohexane-1,1'(2'H)-pyrrolo[3,4-c]pyrrole]-3'-carbonitrile, hexahydro-5'-methyl-4',6'-dioxo-, (3'.alpha.,3'a.beta.,6'a.beta.)-
Alternate Name(s) (3'S,3'aR,6'aS)-5'-methyl-4',6'-dioxo-hexahydro-2'H-spiro[cyclohexane-1,1'-pyrrolo[3,4-c]pyrrole]-3'-carbonitrile Spiro[cyclohexane,1'-6,-3a,4,6,6a-tetrahydro-2-methyl-4-cyano-1H,3H-pyrrolo[3,4-c]pyrrol-1,3-dione]
CAS Registry Number 107554-55-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3O2
InChI InChI=1S/C13H17N3O2/c1-16-11(17)9-8(7-14)15-13(10(9)12(16)18)5-3-2-4-6-13/h8-10,15H,2-6H2,1H3/t8-,9+,10-/m1/s1
InChIKey GAPCKPWCLDUMNZ-KXUCPTDWSA-N
Molecular Weight 247.298 g/mol
SMILES N1[C@@]([C@]2([C@@](C11CCCCC1)(C(N(C2=O)C)=O)[H])[H])(C#N)[H]
SPLASH splash10-0udi-0490000000-378ead60a74fa3ef5c13
Source of Spectrum AJ-59-1818-12
Wiley ID 1249985