| SpectraBase Compound ID | Gv1zyAsvhiU |
|---|---|
| InChI | InChI=1S/C16H16N2O6S2.Na/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10;/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23);/q;+1/p-1/t12-,15-;/m1./s1 |
| InChIKey | VUFGUVLLDPOSBC-XRZFDKQNSA-M |
| Mol Weight | 418.41 g/mol |
| Molecular Formula | C16H15N2NaO6S2 |
| Exact Mass | 418.026923 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BLu4VVnVcDc |
|---|---|
| Name | Cephalothin sodium in kbr |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.026922833 u |
| Formula | C16H15N2NaO6S2 |
| InChI | InChI=1S/C16H16N2O6S2.Na/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10;/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23);/q;+1/p-1/t12-,15-;/m1./s1 |
| InChIKey | VUFGUVLLDPOSBC-XRZFDKQNSA-M |
| Molecular Weight | 418.414 g/mol |
| SMILES | C(C1=C(N2C([C@]([C@]2(SC1)[H])(NC(=O)CC1=CC=CS1)[H])=O)C(=O)O[Na])OC(=O)C |