For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
7-[2-(6-METHYL-3,4-DIOXOCYCLOHEXA-1,5-DIENYLAMINO)-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-CEPHALOSPORANIC-ACID
SpectraBase Compound ID 3RzFxoVniYM
InChI InChI=1S/C23H21N3O7S/c1-10-7-15(28)16(29)8-14(10)24-17(12-3-5-13(27)6-4-12)20(30)25-18-21(31)26-19(23(32)33)11(2)9-34-22(18)26/h3-8,17-18,22,24,27H,9H2,1-2H3,(H,25,30)(H,32,33)/t17-,18-,22-/m1/s1
InChIKey LRKZJRZOESWCMB-JBYIUTFZSA-N
Mol Weight 483.5 g/mol
Molecular Formula C23H21N3O7S
Exact Mass 483.110021 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DOX8QntuPWP
Name 7-[2-(6-METHYL-3,4-DIOXOCYCLOHEXA-1,5-DIENYLAMINO)-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-CEPHALOSPORANIC-ACID
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H21N3O7S
InChI InChI=1S/C23H21N3O7S/c1-10-7-15(28)16(29)8-14(10)24-17(12-3-5-13(27)6-4-12)20(30)25-18-21(31)26-19(23(32)33)11(2)9-34-22(18)26/h3-8,17-18,22,24,27H,9H2,1-2H3,(H,25,30)(H,32,33)/t17-,18-,22-/m1/s1
InChIKey LRKZJRZOESWCMB-JBYIUTFZSA-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 483.496 g/mol
Sample ID 1833
Solvent DMSO-D6