| SpectraBase Compound ID | CRgK9CvzaqO |
|---|---|
| InChI | InChI=1S/C21H28N6O8S/c1-9-6-26(20(32)24-17(9)30)15-3-11(14(8-28)35-15)23-19(36)22-5-13-12(29)4-16(34-13)27-7-10(2)18(31)25-21(27)33/h6-7,11-16,28-29H,3-5,8H2,1-2H3,(H2,22,23,36)(H,24,30,32)(H,25,31,33)/t11-,12-,13+,14+,15+,16+/m1/s1 |
| InChIKey | ZSIHBUVEFVWIQP-LGFJLYTPSA-N |
| Mol Weight | 524.55 g/mol |
| Molecular Formula | C21H28N6O8S |
| Exact Mass | 524.168933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2En1Qej4MlN |
|---|---|
| Name | N-(3'-DEOXYTHYMIDIN-3'-YL)-N'-(5'-DEOXYTHYMIDIN-5'-YL)-THIOUREA |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H28N6O8S |
| InChI | InChI=1S/C21H28N6O8S/c1-9-6-26(20(32)24-17(9)30)15-3-11(14(8-28)35-15)23-19(36)22-5-13-12(29)4-16(34-13)27-7-10(2)18(31)25-21(27)33/h6-7,11-16,28-29H,3-5,8H2,1-2H3,(H2,22,23,36)(H,24,30,32)(H,25,31,33)/t11-,12-,13+,14+,15+,16+/m1/s1 |
| InChIKey | ZSIHBUVEFVWIQP-LGFJLYTPSA-N |
| Literature Reference Author | F.VANDENDRIESSCHE,A.VANAERSCHOT,M.VOORTMANS,G.JANSSEN,R.BUSS ON,A.VANOVERBEKE,W.V |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1567(1993) |
| Literature Reference DOI | 10.1039/p19930001567 |
| Molecular Weight | 524.549 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWCP6739 |