| SpectraBase Compound ID | FiNEWsqolkn |
|---|---|
| InChI | InChI=1S/C20H26N2O2/c1-3-13-8-12-9-16-18(13)22(11-12)7-6-20(16)19(23)15-10-14(24-2)4-5-17(15)21-20/h4-5,10,12-13,16,18,21H,3,6-9,11H2,1-2H3/t12-,13?,16?,18?,20?/m1/s1 |
| InChIKey | DQOMBBVESFBJLX-MCEXMWMHSA-N |
| Mol Weight | 326.44 g/mol |
| Molecular Formula | C20H26N2O2 |
| Exact Mass | 326.199428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AqQmJsmx8yu |
|---|---|
| Name | Ibolutein |
| CAS Registry Number | 468-11-1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C20H26N2O2 |
| InChI | InChI=1S/C20H26N2O2/c1-3-13-8-12-9-16-18(13)22(11-12)7-6-20(16)19(23)15-10-14(24-2)4-5-17(15)21-20/h4-5,10,12-13,16,18,21H,3,6-9,11H2,1-2H3/t12-,13?,16?,18?,20?/m1/s1 |
| InChIKey | DQOMBBVESFBJLX-MCEXMWMHSA-N |
| Literature Reference | Heterocycles 7, 753 (1977). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |