![6-[(N-cyanoacetimidoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, hydroxymethyl ester, pivalate(ester), hydrated](/api/spectrum/JUt84WTtw5O/structure.png?h=300&w=458 "6-[(N-cyanoacetimidoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, hydroxymethyl ester, pivalate(ester), hydrated")
| SpectraBase Compound ID | 24jALbZ0Pcv |
|---|---|
| InChI | InChI=1S/6C17H24N4O5S.H2O/c6*1-9(19-7-18)20-10-12(22)21-11(17(5,6)27-13(10)21)14(23)25-8-26-15(24)16(2,3)4;/h6*10-11,13H,8H2,1-6H3,(H,19,20);1H2/t6*10-,11+,13-;/m111111./s1 |
| InChIKey | OYGSUHRODCZGIS-CVGDNWIJSA-N |
| Mol Weight | 399.46 g/mol |
| Molecular Formula | C17H24.3333N4O5.16667S |
| Exact Mass | 399.148502 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JUt84WTtw5O |
|---|---|
| Name | 6-[(N-cyanoacetimidoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, hydroxymethyl ester, pivalate(ester), hydrated |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H26N4O6S |
| InChI | InChI=1S/6C17H24N4O5S.H2O/c6*1-9(19-7-18)20-10-12(22)21-11(17(5,6)27-13(10)21)14(23)25-8-26-15(24)16(2,3)4;/h6*10-11,13H,8H2,1-6H3,(H,19,20);1H2/t6*10-,11+,13-;/m111111./s1 |
| InChIKey | OYGSUHRODCZGIS-CVGDNWIJSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 22402M |
| Solvent | Polysol |