| SpectraBase Compound ID | 5O93Y6h8Wub |
|---|---|
| InChI | InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,26H,7,10-12H2,1-4H3/b6-5+,20-18+/t13?,14?,15?,16?,17-,22?/m0/s1 |
| InChIKey | QNQBPPQLRODXET-ACPPGNOMSA-N |
| Mol Weight | 373.49 g/mol |
| Molecular Formula | C22H31NO4 |
| Exact Mass | 373.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5q3ZBvyXcXG |
|---|---|
| Name | EQUISETIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H31NO4 |
| InChI | InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,26H,7,10-12H2,1-4H3/b6-5+,20-18+/t13?,14?,15?,16?,17-,22?/m0/s1 |
| InChIKey | QNQBPPQLRODXET-ACPPGNOMSA-N |
| Literature Reference Author | N.J.PHILLIPS,J.T.GOODWIN,A.FRAIMAN,R.J.COLE,D.G.LYNN |
| Literature Reference Citation | J.AM.CHEM.SOC.,111,8223(1989) |
| Literature Reference DOI | 10.1021/ja00203a025 |
| Molecular Weight | 373.492 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED7546 |