| SpectraBase Compound ID | IuV0kYw7IZa |
|---|---|
| InChI | InChI=1S/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1/t13-,16-;/m1./s1 |
| InChIKey | VGEOUKPOQQEQSX-OALZAMAHSA-M |
| Mol Weight | 445.44 g/mol |
| Molecular Formula | C17H16N3NaO6S2 |
| Exact Mass | 445.037822 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7gbd3PsXNcK |
|---|---|
| Name | Cephapirin sodium 92.5% in kbr |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 445.037821869 u |
| Formula | C17H16N3NaO6S2 |
| InChI | InChI=1S/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1/t13-,16-;/m1./s1 |
| InChIKey | VGEOUKPOQQEQSX-OALZAMAHSA-M |
| Molecular Weight | 445.440 g/mol |
| SMILES | N(C(CSC1=CC=NC=C1)=O)[C@]1([C@]2(SCC(=C(N2C1=O)C(=O)O[Na])COC(=O)C)[H])[H] |