![6-{[2-(p-chlorophenyl)-N-cyanoacetimidoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3,2,0]heptane-2-carboxylic acid, hydroxymethyl ester, pivalate(ester)](/api/spectrum/CPzaasVtysn/structure.png?h=300&w=458 "6-{[2-(p-chlorophenyl)-N-cyanoacetimidoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3,2,0]heptane-2-carboxylic acid, hydroxymethyl ester, pivalate(ester)")
| SpectraBase Compound ID | LltcstlrIl2 |
|---|---|
| InChI | InChI=1S/C23H27ClN4O5S/c1-22(2,3)21(31)33-12-32-20(30)17-23(4,5)34-19-16(18(29)28(17)19)27-15(26-11-25)10-13-6-8-14(24)9-7-13/h6-9,16-17,19H,10,12H2,1-5H3,(H,26,27)/t16-,17?,19-/m1/s1 |
| InChIKey | AGSQDFGYWCKZQP-IRQCGSAXSA-N |
| Mol Weight | 507.01 g/mol |
| Molecular Formula | C23H27ClN4O5S |
| Exact Mass | 506.139069 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CPzaasVtysn |
|---|---|
| Name | 6-{[2-(p-chlorophenyl)-N-cyanoacetimidoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, hydroxymethyl ester, pivalate(ester) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H27ClN4O5S |
| InChI | InChI=1S/C23H27ClN4O5S/c1-22(2,3)21(31)33-12-32-20(30)17-23(4,5)34-19-16(18(29)28(17)19)27-15(26-11-25)10-13-6-8-14(24)9-7-13/h6-9,16-17,19H,10,12H2,1-5H3,(H,26,27)/t16-,17?,19-/m1/s1 |
| InChIKey | AGSQDFGYWCKZQP-IRQCGSAXSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 22401M |
| Solvent | Polysol |