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6,7-DICYANO-2,3,3A,7A-TETRAHYDRO-2,2-DIMETHYL-4-(2-ISOPROPYL-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-ISOPROPYL-1-PHENYL-3-ISOUREIDO)-BENZOFURANE-3A-CARBOXYLIC-ACID,ETHYLESTER
SpectraBase Compound ID 246JLgsjQW2
InChI InChI=1S/C25H28N4O4/c1-6-31-22(30)25-15-24(4,5)33-21(25)19(14-27)17(13-26)12-20(25)29-23(32-16(2)3)28-18-10-8-7-9-11-18/h7-12,16,21H,6,15H2,1-5H3,(H,28,29)
InChIKey BBWORINIBYURMQ-UHFFFAOYSA-N
Mol Weight 448.52 g/mol
Molecular Formula C25H28N4O4
Exact Mass 448.211055 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID UnPSMUucl9
Name 6,7-DICYANO-2,3,3A,7A-TETRAHYDRO-2,2-DIMETHYL-4-(2-ISOPROPYL-1-PHENYL-3-ISOUREIDO)-BENZOFURANE-3A-CARBOXYLIC-ACID,ETHYLESTER
CAS Registry Number 115483-88-0
Compound Number 10D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28N4O4
InChI InChI=1S/C25H28N4O4/c1-6-31-22(30)25-15-24(4,5)33-21(25)19(14-27)17(13-26)12-20(25)29-23(32-16(2)3)28-18-10-8-7-9-11-18/h7-12,16,21H,6,15H2,1-5H3,(H,28,29)
InChIKey BBWORINIBYURMQ-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 448.522 g/mol
Solvent CDCl3
Source File Reference UWGB1709