| SpectraBase Compound ID | BJ1cZSzSeId |
|---|---|
| InChI | InChI=1S/C21H31NO9/c1-5-20(26)13(4)30-16(23)10-21(27,12(2)3)19(25)31-15-7-9-22(28)8-6-14(17(15)22)11-29-18(20)24/h6,12-13,15,17,26-27H,5,7-11H2,1-4H3/t13?,15-,17-,20?,21?,22?/m1/s1 |
| InChIKey | YWRKYGHOZSSOIG-NUPUGHDLSA-N |
| Mol Weight | 441.48 g/mol |
| Molecular Formula | C21H31NO9 |
| Exact Mass | 441.199882 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DoTrIRcCAY3 |
|---|---|
| Name | IDEAMINE-B-N-OXIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H31NO9 |
| InChI | InChI=1S/C21H31NO9/c1-5-20(26)13(4)30-16(23)10-21(27,12(2)3)19(25)31-15-7-9-22(28)8-6-14(17(15)22)11-29-18(20)24/h6,12-13,15,17,26-27H,5,7-11H2,1-4H3/t13?,15-,17-,20?,21?,22?/m1/s1 |
| InChIKey | YWRKYGHOZSSOIG-NUPUGHDLSA-N |
| Literature Reference Author | R.NISHIDA,C.S.KIM,H.FUKAMI,R.IRIE |
| Literature Reference Citation | AGR.BIOL.CHEM.,55,1787(1991) |
| Literature Reference DOI | 10.1271/bbb1961.55.1787 |
| Molecular Weight | 441.478 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT7762 |