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6,7-DICYANO-2,3,3A,7A-TETRAHYDRO-2,2-DIMETHYL-4-(2-METHYL-1-PHENYL-3-ISOUREIDO)-BENZOFURANE-3A-CARBOXYLIC-ACID,ETHYLESTER

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6,7-DICYANO-2,3,3A,7A-TETRAHYDRO-2,2-DIMETHYL-4-(2-METHYL-1-PHENYL-3-ISOUREIDO)-BENZOFURANE-3A-CARBOXYLIC-ACID,ETHYLESTER
SpectraBase Compound ID 5YycbYEmEAP
InChI InChI=1S/C23H24N4O4/c1-5-30-20(28)23-14-22(2,3)31-19(23)17(13-25)15(12-24)11-18(23)27-21(29-4)26-16-9-7-6-8-10-16/h6-11,19H,5,14H2,1-4H3,(H,26,27)
InChIKey FVKYFMVNBBZIHS-UHFFFAOYSA-N
Mol Weight 420.47 g/mol
Molecular Formula C23H24N4O4
Exact Mass 420.179755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FRze5kXmChZ
Name 6,7-DICYANO-2,3,3A,7A-TETRAHYDRO-2,2-DIMETHYL-4-(2-METHYL-1-PHENYL-3-ISOUREIDO)-BENZOFURANE-3A-CARBOXYLIC-ACID,ETHYLESTER
CAS Registry Number 115483-86-8
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H24N4O4
InChI InChI=1S/C23H24N4O4/c1-5-30-20(28)23-14-22(2,3)31-19(23)17(13-25)15(12-24)11-18(23)27-21(29-4)26-16-9-7-6-8-10-16/h6-11,19H,5,14H2,1-4H3,(H,26,27)
InChIKey FVKYFMVNBBZIHS-UHFFFAOYSA-N
Literature Reference Author H.WAMHOFF,F.J.FASSBENDER,M.NIEGER
Literature Reference Citation CHEM.BER.,121,2157(1988)
Literature Reference DOI 10.1002/cber.19881211214
Molecular Weight 420.468 g/mol
Solvent CDCl3
Source File Reference UWGB1707