| SpectraBase Compound ID | AX6GBIv3vsA |
|---|---|
| InChI | InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/p-1 |
| InChIKey | AVKUERGKIZMTKX-UHFFFAOYSA-M |
| Mol Weight | 348.4 g/mol |
| Molecular Formula | C16H18N3O4S |
| Exact Mass | 348.101802 g/mol |
15N Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9sxToaWScso |
|---|---|
| Name | (.alpha.-Amino-benzyl)-penicillin anion |
| Comments | NA SALT |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C16H18N3O4S |
| InChI | InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/p-1 |
| InChIKey | AVKUERGKIZMTKX-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 |