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Cyclohex-3-enecarboxylic acid, 6-(1-cyano-1H-isoquinoline-2-carbonyl)-, isopropyl ester
SpectraBase Compound ID BzO0u0yL8Dv
InChI InChI=1S/C21H22N2O3/c1-14(2)26-21(25)18-10-6-5-9-17(18)20(24)23-12-11-15-7-3-4-8-16(15)19(23)13-22/h3-8,11-12,14,17-19H,9-10H2,1-2H3
InChIKey UWFUQBJWSJTGPZ-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C21H22N2O3
Exact Mass 350.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsMrzXRobD5
Name Cyclohex-3-enecarboxylic acid, 6-(1-cyano-1H-isoquinoline-2-carbonyl)-, isopropyl ester
Alternate Name(s) 6-(1-cyano-1H-isoquinoline-2-carbonyl)cyclohex-3-ene-1-carboxylic acid isopropyl ester 6-[(1-cyano-1H-isoquinolin-2-yl)-oxomethyl]-1-cyclohex-3-enecarboxylic acid propan-2-yl ester isopropyl 6-(1-cyano-1H-isoquinoline-2-carbonyl)cyclohex-3-ene-1-carboxylate Propan-2-yl 6-(1-cyano-1H-isoquinoline-2-carbonyl)cyclohex-3-ene-1-carboxylate Propan-2-yl 6-[(1-cyano-1H-isoquinolin-2-yl)carbonyl]cyclohex-3-ene-1-carboxylate
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Formula C21H22N2O3
InChI InChI=1S/C21H22N2O3/c1-14(2)26-21(25)18-10-6-5-9-17(18)20(24)23-12-11-15-7-3-4-8-16(15)19(23)13-22/h3-8,11-12,14,17-19H,9-10H2,1-2H3
InChIKey UWFUQBJWSJTGPZ-UHFFFAOYSA-N
Molecular Weight 350.418 g/mol
SMILES c1cc2C=CN(C(C3C(C(OC(C)C)=O)CC=CC3)=O)C(c2cc1)C#N
SPLASH splash10-004i-9800000000-fe8353db558de6d31d91
Wiley ID 1436597