| SpectraBase Compound ID | AwMAhNNiMvG |
|---|---|
| InChI | InChI=1S/C17H21N3O4S/c1-17(2)12(16(23)24-3)20-14(22)11(15(20)25-17)19-13(21)10(18)9-7-5-4-6-8-9/h4-8,10-12,15H,18H2,1-3H3,(H,19,21) |
| InChIKey | ZTKSGWUCFJCAOS-UHFFFAOYSA-N |
| Mol Weight | 363.43 g/mol |
| Molecular Formula | C17H21N3O4S |
| Exact Mass | 363.125277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | J5E9Ggg7Ch9 |
|---|---|
| Name | Ampicillin methylester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.125277338 u |
| Formula | C17H21N3O4S |
| InChI | InChI=1S/C17H21N3O4S/c1-17(2)12(16(23)24-3)20-14(22)11(15(20)25-17)19-13(21)10(18)9-7-5-4-6-8-9/h4-8,10-12,15H,18H2,1-3H3,(H,19,21) |
| InChIKey | ZTKSGWUCFJCAOS-UHFFFAOYSA-N |
| Molecular Weight | 363.432 g/mol |
| SMILES | N(C1C2N(C1=O)C(C(C)(C)S2)C(OC)=O)C(C(c1ccccc1)N)=O |