| SpectraBase Compound ID | 9V4h8e00yaj |
|---|---|
| InChI | InChI=1S/C31H45N2O2S.HI/c1-22-4-6-27(24-10-14-34-16-24)32-19-31(13-8-26(22)32)18-30(21-36-31)12-9-28-23(2)5-7-29(33(28,3)20-30)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 | KQHDQFVRYVPQRN-ONRMAOSESA-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 | DEzTccmLwbx |
|---|---|
| Name | MONOMETHIODIDE (N5'-METHYL)-TRANS-QUINOLIZIDINE |
| 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)32-19-31(13-8-26(22)32)18-30(21-36-31)12-9-28-23(2)5-7-29(33(28,3)20-30)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 | KQHDQFVRYVPQRN-ONRMAOSESA-M |
| Instrument Name | Jeol FX-90 |
| Literature Reference | J.WROBEL, A.SCHOLL-ALEKSANDROWICZ, J.CYBULSKI, K.WOJTASIEWICZ (1986)Coll.Czech.Chem.Comm.: v.51, N11, 2590-2597. |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 chloroform-d |