| SpectraBase Compound ID | IGwTuIxr6yw |
|---|---|
| InChI | InChI=1S/C23H34N3O2S2/c1-20(2,25-13-29)17-9-12-23(5,28-17)16-7-10-21(3,26-14-30)15-8-11-22(4,27)19(24-6)18(15)16/h6,15-19,27H,7-12H2,1-5H3/q+1/t15-,16-,17-,18-,19+,21-,22+,23+/m0/s1 |
| InChIKey | QXLXJQNAVAMFBY-DKNXKHEBSA-N |
| Mol Weight | 448.7 g/mol |
| Molecular Formula | C23H34N3O2S2 |
| Exact Mass | 448.209245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DOsUuXgXKxb |
|---|---|
| Name | 10-ISOTHIOCYANOTOKALIHINOL-G |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H34N3O2S2 |
| InChI | InChI=1S/C23H34N3O2S2/c1-20(2,25-13-29)17-9-12-23(5,28-17)16-7-10-21(3,26-14-30)15-8-11-22(4,27)19(24-6)18(15)16/h6,15-19,27H,7-12H2,1-5H3/q+1/t15-,16-,17-,18-,19+,21-,22+,23+/m0/s1 |
| InChIKey | QXLXJQNAVAMFBY-DKNXKHEBSA-N |
| Literature Reference Author | D.WOLF,F.J.SCHMITZ |
| Literature Reference Citation | J.NAT.PROD.,61,1524(1998) |
| Literature Reference DOI | 10.1021/np980240g |
| Molecular Weight | 448.662 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGE1215 |