| SpectraBase Compound ID | XWUj3UQvsE |
|---|---|
| InChI | InChI=1S/C19H27N3O5S2/c1-12(24)26-14-9-16(27-15(14)11-23)22-10-13(17(20)21-18(22)25)7-5-6-8-28-29-19(2,3)4/h10,14-16,23H,6,8-9,11H2,1-4H3,(H2,20,21,25)/t14-,15+,16+/m0/s1 |
| InChIKey | YNYOWDHPWHZPKT-ARFHVFGLSA-N |
| Mol Weight | 441.56 g/mol |
| Molecular Formula | C19H27N3O5S2 |
| Exact Mass | 441.139213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3dmLGaZSB3N |
|---|---|
| Name | 3'-O-ACETYL-5-(1-BUTYNYL)-2'-DEOXYCYTIDINE-TERT.-BUTYL-DISULFIDE |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H27N3O5S2 |
| InChI | InChI=1S/C19H27N3O5S2/c1-12(24)26-14-9-16(27-15(14)11-23)22-10-13(17(20)21-18(22)25)7-5-6-8-28-29-19(2,3)4/h10,14-16,23H,6,8-9,11H2,1-4H3,(H2,20,21,25)/t14-,15+,16+/m0/s1 |
| InChIKey | YNYOWDHPWHZPKT-ARFHVFGLSA-N |
| Literature Reference Author | A.ROYCHOWDHURY,H.ILLANGKOON,C.L.HENDRICKSON,S.A.BENNER |
| Literature Reference Citation | ORG.LETTERS,6,489(2004) |
| Literature Reference DOI | 10.1021/ol0360290 |
| Molecular Weight | 441.560 g/mol |
| Sample ID | 34827 |
| Solvent | CDCl3 |