| SpectraBase Compound ID | HJIG8USo7Q5 |
|---|---|
| InChI | InChI=1S/C17H19N5O4S/c1-25-9-2-4-10(5-3-9)27-6-11-13(23)14(24)17(26-11)22-8-21-12-15(18)19-7-20-16(12)22/h2-5,7-8,11,13-14,17,23-24H,6H2,1H3,(H2,18,19,20)/t11-,13-,14-,17-/m0/s1 |
| InChIKey | YPBFMIZDPCDUOG-MJFSBKNWSA-N |
| Mol Weight | 389.43 g/mol |
| Molecular Formula | C17H19N5O4S |
| Exact Mass | 389.115775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GHyuQthLFCy |
|---|---|
| Name | 5'-S-(4-METHOXYPHENYL)-5'-THIOADENOSINE |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H19N5O4S |
| InChI | InChI=1S/C17H19N5O4S/c1-25-9-2-4-10(5-3-9)27-6-11-13(23)14(24)17(26-11)22-8-21-12-15(18)19-7-20-16(12)22/h2-5,7-8,11,13-14,17,23-24H,6H2,1H3,(H2,18,19,20)/t11-,13-,14-,17-/m0/s1 |
| InChIKey | YPBFMIZDPCDUOG-MJFSBKNWSA-N |
| Literature Reference Author | M.J.ROBINS,S.F.WNUK,K.B.MULLAH,N.K.DALLEY,C.S.YUAN,Y.LEE,R.T .BORCHARDT |
| Literature Reference Citation | J.ORG.CHEM.,59,544(1994) |
| Literature Reference DOI | 10.1021/jo00082a010 |
| Molecular Weight | 389.429 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ2451 |