| SpectraBase Compound ID | GfbD01e2dAq |
|---|---|
| InChI | InChI=1S/C16H20N2O5S/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23) |
| InChIKey | HCYWNSXLUZRKJX-UHFFFAOYSA-N |
| Mol Weight | 352.41 g/mol |
| Molecular Formula | C16H20N2O5S |
| Exact Mass | 352.109293 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMgAFE20IfV |
|---|---|
| Name | PENICILLOIC-ACID |
| Compound Number | 2205 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H20N2O5S |
| InChI | InChI=1S/C16H20N2O5S/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23) |
| InChIKey | HCYWNSXLUZRKJX-UHFFFAOYSA-N |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 352.405 g/mol |
| Sample ID | 2601 |
| Solvent | DMSO-D6 |