| SpectraBase Compound ID | 7wk1FlmdCa1 |
|---|---|
| InChI | InChI=1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3/t18-,19-,21+/m1/s1 |
| InChIKey | XRBIHOLQAKITPP-SBHAEUEKSA-N |
| Mol Weight | 383.4 g/mol |
| Molecular Formula | C21H21NO6 |
| Exact Mass | 383.136887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ZPf1ZUA4lS |
|---|---|
| Name | RHOEADINE |
| CAS Registry Number | 51153-13-0 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H21NO6 |
| InChI | InChI=1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3/t18-,19-,21+/m1/s1 |
| InChIKey | XRBIHOLQAKITPP-SBHAEUEKSA-N |
| Literature Reference Citation | J.PH.SOC.JAP.,97,93(1977) |
| Molecular Weight | 383.401 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW12913 |