| SpectraBase Compound ID | 5EMrk1NWkPc |
|---|---|
| InChI | InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/p-1 |
| InChIKey | JGSARLDLIJGVTE-UHFFFAOYSA-M |
| Mol Weight | 333.38 g/mol |
| Molecular Formula | C16H17N2O4S |
| Exact Mass | 333.090903 g/mol |
15N Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EsUY8OQMzS6 |
|---|---|
| Name | Penicillin G anion |
| CAS Registry Number | 113-98-4 |
| Comments | K-SALT |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C16H17N2O4S |
| InChI | InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/p-1 |
| InChIKey | JGSARLDLIJGVTE-UHFFFAOYSA-M |
| Instrument Name | Jeol PFT-100 |
| Literature Reference | J.W. Paschal et. al., J. Org. Chem. 43, 2013 (1978). |
| NMR Standard | CH3NO2 |
| Observed nucleus | 15N |
| Solvent | H2O |