| SpectraBase Compound ID | 3XkUuFybDTM |
|---|---|
| InChI | InChI=1S/C21H29NO5Se/c1-13(12-23)18-19-15(14(2)20(24)27-19)8-9-21(18,3)10-11-28-17-7-5-4-6-16(17)22(25)26/h4-7,13-15,18-19,23H,8-12H2,1-3H3/t13-,14-,15-,18+,19-,21-/m0/s1 |
| InChIKey | XLCOMYDGSFVETI-SGFUTPBMSA-N |
| Mol Weight | 454.44 g/mol |
| Molecular Formula | C21H29NO5Se |
| Exact Mass | 455.121095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | SWHHaejNJm |
|---|---|
| Name | XLCOMYDGSFVETI-SGFUTPBMSA-N |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H29NO5Se |
| InChI | InChI=1S/C21H29NO5Se/c1-13(12-23)18-19-15(14(2)20(24)27-19)8-9-21(18,3)10-11-28-17-7-5-4-6-16(17)22(25)26/h4-7,13-15,18-19,23H,8-12H2,1-3H3/t13-,14-,15-,18+,19-,21-/m0/s1 |
| InChIKey | XLCOMYDGSFVETI-SGFUTPBMSA-N |
| Literature Reference Author | G.BLAY,L.CARDONA,B.GARCIA,J.R.PEDRO |
| Literature Reference Citation | CAN.J.CHEM.,70,817(1992) |
| Literature Reference DOI | 10.1139/v92-107 |
| Molecular Weight | 454.425 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP6416 |