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1-Cyclohexene-1,3-dicarbonitrile, 4-(2-methoxy-1,1,2-trimethylpropyl)-, cis-
SpectraBase Compound ID 8Gq7vwnTjBP
InChI InChI=1S/C15H22N2O/c1-14(2,15(3,4)18-5)13-7-6-11(9-16)8-12(13)10-17/h8,12-13H,6-7H2,1-5H3/t12-,13-/m1/s1
InChIKey CREXBIKQENUNGY-CHWSQXEVSA-N
Mol Weight 246.35 g/mol
Molecular Formula C15H22N2O
Exact Mass 246.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9nXArHdwSm
Name 1-Cyclohexene-1,3-dicarbonitrile, 4-(2-methoxy-1,1,2-trimethylpropyl)-, cis-
CAS Registry Number 92756-82-6
Comments Removed - expert review: contamination (chloroform))
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Formula C15H22N2O
InChI InChI=1S/C15H22N2O/c1-14(2,15(3,4)18-5)13-7-6-11(9-16)8-12(13)10-17/h8,12-13H,6-7H2,1-5H3/t12-,13-/m1/s1
InChIKey CREXBIKQENUNGY-CHWSQXEVSA-N
Molecular Weight 246.354 g/mol
SMILES C([C@]1([C@](C=C(CC1)C#N)(C#N)[H])[H])(C(OC)(C)C)(C)C
SPLASH splash10-001i-9530000000-b11130d87ba6fbbdb2ee
Source of Spectrum I-62-1800-0
Synonyms (3S,4R)-4-(2-methoxy-1,1,2-trimethylpropyl)-1-cyclohexene-1,3-dicarbonitrile cis-1,3-dicyano-4-(2-methoxy-1,1,2-trimethylpropyl)cyclohexene
Wiley ID 1249318