| SpectraBase Compound ID | 3YIkGXrgN0S |
|---|---|
| InChI | InChI=1S/C30H42N2O2S/c1-21-3-5-27(23-9-13-33-15-23)31-18-29(11-7-25(21)31)17-30(35-20-29)12-8-26-22(2)4-6-28(32(26)19-30)24-10-14-34-16-24/h9-10,13-16,21-22,25-28H,3-8,11-12,17-20H2,1-2H3/t21-,22-,25+,26+,27+,28+,29?,30-/m1/s1 |
| InChIKey | WBMOHCBEBDKSBI-JVDGIKKXSA-N |
| Mol Weight | 494.7 g/mol |
| Molecular Formula | C30H42N2O2S |
| Exact Mass | 494.2967 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8co9kftbV1P |
|---|---|
| Name | NEOTHIOBINUPHARIDINE |
| Comments | 3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C30H42N2O2S |
| InChI | InChI=1S/C30H42N2O2S/c1-21-3-5-27(23-9-13-33-15-23)31-18-29(11-7-25(21)31)17-30(35-20-29)12-8-26-22(2)4-6-28(32(26)19-30)24-10-14-34-16-24/h9-10,13-16,21-22,25-28H,3-8,11-12,17-20H2,1-2H3/t21-,22-,25+,26+,27+,28+,29?,30-/m1/s1 |
| InChIKey | WBMOHCBEBDKSBI-JVDGIKKXSA-N |
| Instrument Name | Jeol FX-90 |
| Literature Reference | JACEK CYBULSKI, ANNA SCHOLL-ALEKSANDROWICZ, KRYSTYNA WOJTASIEWICZ, JERZY T.WROBEL (1984) Bull. Polish Acad. Sci. (Chemistry): v.32, N9, 339-348. |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 chloroform-d |