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

*Links on SpectraBase are not permalinks.

(6R,7R)-8-keto-3-[(E)-3-keto-3-phenyl-prop-1-enyl]-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester

View entire compound with spectra: 1 NMR

(6R,7R)-8-keto-3-[(E)-3-keto-3-phenyl-prop-1-enyl]-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester
SpectraBase Compound ID KmixD6ScGey
InChI InChI=1S/C25H22N2O5S/c1-32-25(31)22-18(12-13-19(28)17-10-6-3-7-11-17)15-33-24-21(23(30)27(22)24)26-20(29)14-16-8-4-2-5-9-16/h2-13,21,24H,14-15H2,1H3,(H,26,29)/b13-12+/t21-,24-/m1/s1
InChIKey QZHRCNBNLAQKKZ-AHUNDJPPSA-N
Mol Weight 462.52 g/mol
Molecular Formula C25H22N2O5S
Exact Mass 462.124943 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 D3438QL2iXi
Name (6R,7R)-8-keto-3-[(E)-3-keto-3-phenyl-prop-1-enyl]-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H22N2O5S
InChI InChI=1S/C25H22N2O5S/c1-32-25(31)22-18(12-13-19(28)17-10-6-3-7-11-17)15-33-24-21(23(30)27(22)24)26-20(29)14-16-8-4-2-5-9-16/h2-13,21,24H,14-15H2,1H3,(H,26,29)/b13-12+/t21-,24-/m1/s1
InChIKey QZHRCNBNLAQKKZ-AHUNDJPPSA-N
Literature Reference Author J.PITLIK,T.E.GUNDA,G.BETTA,J.JEKOE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3043(1994)
Literature Reference DOI 10.1039/p19940003043
Molecular Weight 462.520 g/mol
Solvent CDCl3
Source File Reference UWRU4288