| SpectraBase Compound ID | DVuBcYkEtOR |
|---|---|
| InChI | InChI=1S/C21H25NO5S/c1-13-3-6-16(7-4-13)28(25,26)22-10-9-14-5-8-17-18(21(24)27-2)11-15(12-23)20(22)19(14)17/h3-4,6-7,12,14-15,18,20H,5,8-11H2,1-2H3/t14-,15-,18-,20+/m0/s1 |
| InChIKey | KLRAYBZCJMDGKD-BPQOCRPUSA-N |
| Mol Weight | 403.49 g/mol |
| Molecular Formula | C21H25NO5S |
| Exact Mass | 403.145344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Q525bErS6h |
|---|---|
| Name | KLRAYBZCJMDGKD-BPQOCRPUSA-N |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H25NO5S |
| InChI | InChI=1S/C21H25NO5S/c1-13-3-6-16(7-4-13)28(25,26)22-10-9-14-5-8-17-18(21(24)27-2)11-15(12-23)20(22)19(14)17/h3-4,6-7,12,14-15,18,20H,5,8-11H2,1-2H3/t14-,15-,18-,20+/m0/s1 |
| InChIKey | KLRAYBZCJMDGKD-BPQOCRPUSA-N |
| Literature Reference Author | T.J.HARRISON,G.R.DAKE |
| Literature Reference Citation | ORG.LETTERS,6,5023(2004) |
| Literature Reference DOI | 10.1021/ol047696b |
| Molecular Weight | 403.493 g/mol |
| Sample ID | 49642 |
| Solvent | CDCl3 |