![3-methyl-8-oxo-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, p-nitrobenzyl ester](/api/spectrum/2BLiBVBneJI/structure.png?h=300&w=458 "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 | 411.088892 g/mol |
1H 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 | 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 |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |