| SpectraBase Compound ID | JOA72tB2TTg |
|---|---|
| InChI | InChI=1S/C22H33NO5/c1-4-23-10-20(2)7-6-13(27-3)22-12-9-11-5-8-21(26,14(12)19(25)28-11)15(18(22)23)16(24)17(20)22/h11-18,24,26H,4-10H2,1-3H3/t11-,12+,13-,14?,15-,16+,17-,18?,20-,21+,22-/m0/s1 |
| InChIKey | YPSAOPXJHSESSR-BTJOZPMISA-N |
| Mol Weight | 391.5 g/mol |
| Molecular Formula | C22H33NO5 |
| Exact Mass | 391.235873 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AwgMRZcPTxU |
|---|---|
| Name | HETERASINE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H33NO5 |
| InChI | InChI=1S/C22H33NO5/c1-4-23-10-20(2)7-6-13(27-3)22-12-9-11-5-8-21(26,14(12)19(25)28-11)15(18(22)23)16(24)17(20)22/h11-18,24,26H,4-10H2,1-3H3/t11-,12+,13-,14?,15-,16+,17-,18?,20-,21+,22-/m0/s1 |
| InChIKey | YPSAOPXJHSESSR-BTJOZPMISA-N |
| Literature Reference Author | S.W.PELLETIER,N.V.MODY,A.J.JONES,M.H.BENN |
| Literature Reference Citation | TETRAH.LETT.,17,3025(1976) |
| Literature Reference DOI | 10.1016/0040-4039(76)80060-3 |
| Molecular Weight | 391.508 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW20879 |