| SpectraBase Compound ID | FwZGX0nJUIN |
|---|---|
| InChI | InChI=1S/C31H45N2O2S.HI/c1-22-4-6-27(24-10-14-34-16-24)32-19-30(12-8-26(22)32)18-31(36-21-30)13-9-28-23(2)5-7-29(33(28,3)20-31)25-11-15-35-17-25;/h10-11,14-17,22-23,26-29H,4-9,12-13,18-21H2,1-3H3;1H/q+1;/p-1/t22-,23-,26+,27+,28+,29+,30?,31-,33-;/m0./s1 |
| InChIKey | DUAOEFLCZDCWIN-PPIPHURQSA-M |
| Mol Weight | 636.7 g/mol |
| Molecular Formula | C31H45IN2O2S |
| Exact Mass | 636.224645 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DXqwxFUhW5h |
|---|---|
| Name | THIOBINUPHARIDINE, IODOMETHYLATE (ISOMER 2) |
| Comments | 9. |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H45IN2O2S |
| InChI | InChI=1S/C31H45N2O2S.HI/c1-22-4-6-27(24-10-14-34-16-24)32-19-30(12-8-26(22)32)18-31(36-21-30)13-9-28-23(2)5-7-29(33(28,3)20-31)25-11-15-35-17-25;/h10-11,14-17,22-23,26-29H,4-9,12-13,18-21H2,1-3H3;1H/q+1;/p-1/t22-,23-,26+,27+,28+,29+,30?,31-,33-;/m0./s1 |
| InChIKey | DUAOEFLCZDCWIN-PPIPHURQSA-M |
| Instrument Name | Varian CFT-20 |
| Literature Reference | JACEK CYBULSKI, JANUSZ JURCZAK, KRYSTYNA WOJTASIEWICZ, JERZY T. WROBEL (1982)Bull. Polish Acad. Sci. (Chemistry): v.30, N1, 31-36. |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 chloroform-d |