John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=LpjJYzmn0zI SpectraBase Spectrum ID=2BLiBVBneJI

(accessed ).
3-methyl-8-oxo-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, p-nitrobenzyl ester
SpectraBase Compound ID LpjJYzmn0zI
InChI InChI=1S/C20H17N3O5S/c1-13-19(20(25)28-12-14-7-9-16(10-8-14)23(26)27)21-17(24)11-18(21)29-22(13)15-5-3-2-4-6-15/h2-10,18H,11-12H2,1H3/t18-/m1/s1
InChIKey GLVBSEOUJJPDKP-GOSISDBHSA-N
Mol Weight 411.43 g/mol
Molecular Formula C20H17N3O5S
Exact Mass 411.088893 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2BLiBVBneJI
Name 3-methyl-8-oxo-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, p-nitrobenzyl ester
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Formula C20H17N3O5S
InChI InChI=1S/C20H17N3O5S/c1-13-19(20(25)28-12-14-7-9-16(10-8-14)23(26)27)21-17(24)11-18(21)29-22(13)15-5-3-2-4-6-15/h2-10,18H,11-12H2,1H3/t18-/m1/s1
InChIKey GLVBSEOUJJPDKP-GOSISDBHSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 38576M
Solvent CDCl3
SpectraBase Batch ID 2Cy34GE08ja