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3-CHLORO-7-[2-(5-METHYL-3,4-DIOXOCYCLOHEXA-1,5-DIENYLAMINO)-2-PHENYL-ACETYLAMINO]-8-OXO-5-AZABICYCLO-[4.2.0]-OCT-3-ENE-4-CARBOXYLIC-ACID

View entire compound with spectra: 1 NMR

3-CHLORO-7-[2-(5-METHYL-3,4-DIOXOCYCLOHEXA-1,5-DIENYLAMINO)-2-PHENYL-ACETYLAMINO]-8-OXO-5-AZABICYCLO-[4.2.0]-OCT-3-ENE-4-CARBOXYLIC-ACID
SpectraBase Compound ID FSFHildb6ed
InChI InChI=1S/C23H20ClN3O6/c1-11-9-13(10-16(28)20(11)29)25-17(12-5-3-2-4-6-12)21(30)26-18-15-8-7-14(24)19(23(32)33)27(15)22(18)31/h2-6,9-10,15,17-18,25H,7-8H2,1H3,(H,26,30)(H,32,33)/t15-,17-,18+/m1/s1
InChIKey YKTMAFPTZOKQSY-NXHRZFHOSA-N
Mol Weight 469.88 g/mol
Molecular Formula C23H20ClN3O6
Exact Mass 469.104063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6yPHuntHKG9
Name 3-CHLORO-7-[2-(5-METHYL-3,4-DIOXOCYCLOHEXA-1,5-DIENYLAMINO)-2-PHENYL-ACETYLAMINO]-8-OXO-5-AZABICYCLO-[4.2.0]-OCT-3-ENE-4-CARBOXYLIC-ACID
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H20ClN3O6
InChI InChI=1S/C23H20ClN3O6/c1-11-9-13(10-16(28)20(11)29)25-17(12-5-3-2-4-6-12)21(30)26-18-15-8-7-14(24)19(23(32)33)27(15)22(18)31/h2-6,9-10,15,17-18,25H,7-8H2,1H3,(H,26,30)(H,32,33)/t15-,17-,18+/m1/s1
InChIKey YKTMAFPTZOKQSY-NXHRZFHOSA-N
Literature Reference Author A.MIKOLASCH,M.WURSTER,M.LALK,S.WITT,S.SEEFELDT,E.HAMMER,F.SC HAUER
Literature Reference Citation CHEM.PHARM.BULL.,56,902(2008)
Literature Reference DOI 10.1248/cpb.56.902
Molecular Weight 469.881 g/mol
Sample ID 1832
Solvent DMSO-D6