| SpectraBase Compound ID | 7N0VfujSv92 |
|---|---|
| InChI | InChI=1S/C20H23N3O4S/c1-19(2)14(18(26)27-5)22-16(25)13(17(22)28-19)23-15(24)12(21-20(23,3)4)11-9-7-6-8-10-11/h6-10,13-14,17H,1-5H3 |
| InChIKey | QXYNJYVUUMPRLY-UHFFFAOYSA-N |
| Mol Weight | 401.48 g/mol |
| Molecular Formula | C20H23N3O4S |
| Exact Mass | 401.140927 g/mol |
15N Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CKxJU4NO6tq |
|---|---|
| Name | Hetacillin methyl-ester |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C20H23N3O4S |
| InChI | InChI=1S/C20H23N3O4S/c1-19(2)14(18(26)27-5)22-16(25)13(17(22)28-19)23-15(24)12(21-20(23,3)4)11-9-7-6-8-10-11/h6-10,13-14,17H,1-5H3 |
| InChIKey | QXYNJYVUUMPRLY-UHFFFAOYSA-N |
| 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 |