| SpectraBase Compound ID | jq04URyEBs |
|---|---|
| InChI | InChI=1S/C21H31NO4/c1-3-22-16-20(25)9-12-18(2)6-5-13(26-17(18)22)21(12,16)11-8-10-4-7-19(20,24)14(11)15(10)23/h10-17,23-25H,3-9H2,1-2H3/t10-,11?,12?,13?,14?,15-,16?,17?,18+,19+,20-,21?/m0/s1 |
| InChIKey | JQUKIICBZSMKGA-MYKYWBITSA-N |
| Mol Weight | 361.48 g/mol |
| Molecular Formula | C21H31NO4 |
| Exact Mass | 361.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Lq2EUhIJkk |
|---|---|
| Name | GRACILINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H31NO4 |
| InChI | InChI=1S/C21H31NO4/c1-3-22-16-20(25)9-12-18(2)6-5-13(26-17(18)22)21(12,16)11-8-10-4-7-19(20,24)14(11)15(10)23/h10-17,23-25H,3-9H2,1-2H3/t10-,11?,12?,13?,14?,15-,16?,17?,18+,19+,20-,21?/m0/s1 |
| InChIKey | JQUKIICBZSMKGA-MYKYWBITSA-N |
| Literature Reference Author | A.G.GONZALEZ,G.DELAFUENTE,M.REINA,I.TIMON |
| Literature Reference Citation | HETEROCYCLES,22,667(1984) |
| Literature Reference DOI | 10.3987/R-1984-04-0667 |
| Molecular Weight | 361.481 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED8866 |