| SpectraBase Compound ID | 9JHwAN7hELg |
|---|---|
| InChI | InChI=1S/C20H20N2O7S/c1-11-12(2)30(27)19-16(21-15(24)9-14-7-5-4-6-8-14)18(25)22(19)17(11)20(26)29-10-28-13(3)23/h4-8,16,19H,2,9-10H2,1,3H3,(H,21,24)/t16-,19-,30?/m1/s1 |
| InChIKey | KMJNBTLALMGAHD-ITYRXFMLSA-N |
| Mol Weight | 432.45 g/mol |
| Molecular Formula | C20H20N2O7S |
| Exact Mass | 432.099122 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | InXweH4NnOI |
|---|---|
| Name | Acetoxymethyl 7-(.beta.-phenylacetamido)-2-methylene-3-methyl-3-cephem-4-catboxylate - 1-Oxide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H20N2O7S |
| InChI | InChI=1S/C20H20N2O7S/c1-11-12(2)30(27)19-16(21-15(24)9-14-7-5-4-6-8-14)18(25)22(19)17(11)20(26)29-10-28-13(3)23/h4-8,16,19H,2,9-10H2,1,3H3,(H,21,24)/t16-,19-,30?/m1/s1 |
| InChIKey | KMJNBTLALMGAHD-ITYRXFMLSA-N |
| Molecular Weight | 432.447 g/mol |
| SMILES | N([C@@]1(C(N2[C@@]1([S@@](=O)C(C(=C2C(OCOC(=O)C)=O)C)=C)[H])=O)[H])C(=O)Cc1ccccc1 |
| SPLASH | splash10-0006-9100000000-94c5e03f4b035de60858 |
| Source of Spectrum | F2-126-92-0 |
| Wiley ID | 1549839 |