| SpectraBase Compound ID | BUwSG0U1CVX |
|---|---|
| InChI | InChI=1S/C22H33NO9/c1-12(2)21(27)10-17(24)31-14(5)22(28,13(3)4)20(26)30-11-15-6-8-23(29)9-7-16(18(15)23)32-19(21)25/h6,12-14,16,18,27-28H,7-11H2,1-5H3/t14?,16-,18-,21?,22?,23?/m1/s1 |
| InChIKey | WMWVZIISIACSEJ-SPBWUJPVSA-N |
| Mol Weight | 455.5 g/mol |
| Molecular Formula | C22H33NO9 |
| Exact Mass | 455.215532 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7itYPVa4Nkv |
|---|---|
| Name | PARSONSINE-N-OXIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H33NO9 |
| InChI | InChI=1S/C22H33NO9/c1-12(2)21(27)10-17(24)31-14(5)22(28,13(3)4)20(26)30-11-15-6-8-23(29)9-7-16(18(15)23)32-19(21)25/h6,12-14,16,18,27-28H,7-11H2,1-5H3/t14?,16-,18-,21?,22?,23?/m1/s1 |
| InChIKey | WMWVZIISIACSEJ-SPBWUJPVSA-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 | 455.505 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT7763 |