| SpectraBase Compound ID | 5KMFdBW2YIK |
|---|---|
| InChI | InChI=1S/C17H20N2O6S/c1-17(2)13(16(22)25-3)19-14(21)12(15(19)26(17,23)24)18-11(20)9-10-7-5-4-6-8-10/h4-8,12-13,15H,9H2,1-3H3,(H,18,20) |
| InChIKey | GMIIFBCOWHNRTN-UHFFFAOYSA-N |
| Mol Weight | 380.42 g/mol |
| Molecular Formula | C17H20N2O6S |
| Exact Mass | 380.104208 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Uo3MsMakaK |
|---|---|
| Name | penicillin G, S,S-dioxide, methyl ester |
| Source of Sample | Merck & Company, Inc., Rahway, New Jersey |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H20N2O6S |
| InChI | InChI=1S/C17H20N2O6S/c1-17(2)13(16(22)25-3)19-14(21)12(15(19)26(17,23)24)18-11(20)9-10-7-5-4-6-8-10/h4-8,12-13,15H,9H2,1-3H3,(H,18,20) |
| InChIKey | GMIIFBCOWHNRTN-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 6908M |
| Solvent | DMSO-d6 |