| SpectraBase Compound ID | 74EWV4fFAZL |
|---|---|
| InChI | InChI=1S/C18H22N2O6S/c1-16(24)10-20-15(23)17(25)11(9-27-12-5-3-2-4-6-12)7-8-26-18(20,13(16)21)14(22)19-17/h2-6,11,13,21,24-25H,7-10H2,1H3,(H,19,22)/t11-,13+,16+,17-,18+/m1/s1 |
| InChIKey | ZBIOSXNYOUYFOX-BEKOEEOZSA-N |
| Mol Weight | 394.44 g/mol |
| Molecular Formula | C18H22N2O6S |
| Exact Mass | 394.119858 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EC1fFSn9jlG |
|---|---|
| Name | ZBIOSXNYOUYFOX-BEKOEEOZSA-N |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H22N2O6S |
| InChI | InChI=1S/C18H22N2O6S/c1-16(24)10-20-15(23)17(25)11(9-27-12-5-3-2-4-6-12)7-8-26-18(20,13(16)21)14(22)19-17/h2-6,11,13,21,24-25H,7-10H2,1H3,(H,19,22)/t11-,13+,16+,17-,18+/m1/s1 |
| InChIKey | ZBIOSXNYOUYFOX-BEKOEEOZSA-N |
| Literature Reference Author | M.A.VELA,H.KOHN |
| Literature Reference Citation | J.ORG.CHEM.,57,5223(1992) |
| Literature Reference DOI | 10.1021/jo00045a041 |
| Molecular Weight | 394.442 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS3001 |