![cis-5,6-3-[(trans-2-acetamidovinyl)sulfinyl]-6-(1-hydroxy-1-methylethyl)-7-oxo-1-azabicyclo[3,2,o]hept-2-ene-2-carboxylic acid, monosodium salt, hydrogen sulfate, sodium salt, hydrate](/api/spectrum/24B9DGqJ2dd/structure.png?h=300&w=458 "cis-5,6-3-[(trans-2-acetamidovinyl)sulfinyl]-6-(1-hydroxy-1-methylethyl)-7-oxo-1-azabicyclo[3,2,o]hept-2-ene-2-carboxylic acid, monosodium salt, hydrogen sulfate, sodium salt, hydrate")
| SpectraBase Compound ID | 8Yn89OSDzrI |
|---|---|
| InChI | InChI=1S/C14H18N2O9S2.2Na.H2O/c1-7(17)15-4-5-26(21)9-6-8-10(14(2,3)25-27(22,23)24)12(18)16(8)11(9)13(19)20;;;/h4-5,8,10H,6H2,1-3H3,(H,15,17)(H,19,20)(H,22,23,24);;;1H2/q;2*+1;/p-2/b5-4+;;;/t8-,10+,26?;;;/m1.../s1 |
| InChIKey | CVTFCZVRHZAXNC-MWHJYNKZSA-L |
| Mol Weight | 484.40153856 g/mol |
| Molecular Formula | C14H18N2Na2O10S2 |
| Exact Mass | 484.019826 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 24B9DGqJ2dd |
|---|---|
| Name | cis-5,6-3-[(trans-2-acetamidovinyl)sulfinyl]-6-(1-hydroxy-1-methylethyl)-7-oxo-1-azabicyclo[3,2,o]hept-2-ene-2-carboxylic acid, monosodium salt, hydrogen sulfate, sodium salt, hydrate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H18N2Na2O10S2 |
| InChI | InChI=1S/C14H18N2O9S2.2Na.H2O/c1-7(17)15-4-5-26(21)9-6-8-10(14(2,3)25-27(22,23)24)12(18)16(8)11(9)13(19)20;;;/h4-5,8,10H,6H2,1-3H3,(H,15,17)(H,19,20)(H,22,23,24);;;1H2/q;2*+1;/p-2/b5-4+;;;/t8-,10+,26?;;;/m1.../s1 |
| InChIKey | CVTFCZVRHZAXNC-MWHJYNKZSA-L |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 43068M |
| Solvent | Polysol-d |