| SpectraBase Compound ID | Cs7OQYHkT5U |
|---|---|
| InChI | InChI=1S/C32H48N2O2S.2HI/c1-23-5-7-29(25-11-15-35-17-25)33(3)20-31(13-9-27(23)33)19-32(37-22-31)14-10-28-24(2)6-8-30(34(28,4)21-32)26-12-16-36-18-26;;/h11-12,15-18,23-24,27-30H,5-10,13-14,19-22H2,1-4H3;2*1H/p-2/t23-,24+,27-,28-,29+,30-,31?,32?;;/m0../s1 |
| InChIKey | ZQNRZTCLNWAONN-JRMLGDKJSA-L |
| Mol Weight | 778.61695 g/mol |
| Molecular Formula | C32H48I2N2O2S |
| Exact Mass | 778.15259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6xwbpjdM0Q5 |
|---|---|
| Name | TRANS,CIS-THIOBINUPHARIDINE-BIS-METHIODIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H48I2N2O2S |
| InChI | InChI=1S/C32H48N2O2S.2HI/c1-23-5-7-29(25-11-15-35-17-25)33(3)20-31(13-9-27(23)33)19-32(37-22-31)14-10-28-24(2)6-8-30(34(28,4)21-32)26-12-16-36-18-26;;/h11-12,15-18,23-24,27-30H,5-10,13-14,19-22H2,1-4H3;2*1H/p-2/t23-,24+,27-,28-,29+,30-,31?,32?;;/m0../s1 |
| InChIKey | ZQNRZTCLNWAONN-JRMLGDKJSA-L |
| Literature Reference Author | J.CYBULSKI,K.WOJTASIEWICZ |
| Literature Reference Citation | J.MOL.STRUCT.,117,193(1984) |
| Literature Reference DOI | 10.1016/0022-2860(84)85134-0 |
| Molecular Weight | 778.614 g/mol |
| Solvent | CF3COOD |
| Source File Reference | UWCS9702 |