| SpectraBase Compound ID | 2uw88Dqz7zL |
|---|---|
| InChI | InChI=1S/C21H26N2O5/c1-3-13-11-23(27)9-8-20-14-6-4-5-7-16(14)22-21(20,23)17(25)10-15(13)19(20,12-24)18(26)28-2/h3-7,15,17,22,24-25H,8-12H2,1-2H3/b13-3-/t15-,17+,19-,20-,21-,23?/m0/s1 |
| InChIKey | GIGCGYPQRRCQFB-HSQDWNHPSA-N |
| Mol Weight | 386.45 g/mol |
| Molecular Formula | C21H26N2O5 |
| Exact Mass | 386.184172 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B2eW1x96dtV |
|---|---|
| Name | N-(B)-DEMETHYL-ECHITAMINE-N-OXIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H26N2O5 |
| InChI | InChI=1S/C21H26N2O5/c1-3-13-11-23(27)9-8-20-14-6-4-5-7-16(14)22-21(20,23)17(25)10-15(13)19(20,12-24)18(26)28-2/h3-7,15,17,22,24-25H,8-12H2,1-2H3/b13-3-/t15-,17+,19-,20-,21-,23?/m0/s1 |
| InChIKey | GIGCGYPQRRCQFB-HSQDWNHPSA-N |
| Literature Reference Author | N.KEAWPRADUB,H.TAKAYAMA,N.AIMI,S.I.SAKAI |
| Literature Reference Citation | PHYTOCHEM.,37,1745(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89603-X |
| Molecular Weight | 386.448 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWMS23668 |