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Cyclohexane-1,1,2,2-tetracarbonitrile, 6-isopropyl-3-(4-methoxyphenyl)-5-oxo-
SpectraBase Compound ID 5Ss2o5tfb5X
InChI InChI=1S/C20H18N4O2/c1-13(2)18-17(25)8-16(14-4-6-15(26-3)7-5-14)19(9-21,10-22)20(18,11-23)12-24/h4-7,13,16,18H,8H2,1-3H3
InChIKey ISMQMIQHILILPT-UHFFFAOYSA-N
Mol Weight 346.39 g/mol
Molecular Formula C20H18N4O2
Exact Mass 346.142976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FFHSPmMvdP
Name Cyclohexane-1,1,2,2-tetracarbonitrile, 6-isopropyl-3-(4-methoxyphenyl)-5-oxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N4O2
InChI InChI=1S/C20H18N4O2/c1-13(2)18-17(25)8-16(14-4-6-15(26-3)7-5-14)19(9-21,10-22)20(18,11-23)12-24/h4-7,13,16,18H,8H2,1-3H3
InChIKey ISMQMIQHILILPT-UHFFFAOYSA-N
Molecular Weight 346.390 g/mol
SMILES C1(C(C(c2ccc(cc2)OC)CC(C1C(C)C)=O)(C#N)C#N)(C#N)C#N
SPLASH splash10-001i-1901000000-d73f087d77f4c2f5e07f
Synonyms 3-isopropyl-4-keto-6-(4-methoxyphenyl)cyclohexane-1,1,2,2-tetracarbonitrile 3-Isopropyl-6-(4-methoxyphenyl)-4-oxo-1,1,2,2-cyclohexanetetracarbonitrile 3-isopropyl-6-(4-methoxyphenyl)-4-oxo-cyclohexane-1,1,2,2-tetracarbonitrile 6-(4-Methoxyphenyl)-4-oxidanylidene-3-propan-2-yl-cyclohexane-1,1,2,2-tetracarbonitrile 6-(4-Methoxyphenyl)-4-oxo-3-propan-2-ylcyclohexane-1,1,2,2-tetracarbonitrile
Wiley ID 1457571