| SpectraBase Compound ID | FMb1fNwu3XU |
|---|---|
| InChI | InChI=1S/C13H15N5O3.C7H8O3S/c1-13(2)20-8-6-3-17-4-16-10(14)7-11(17)18(5-15-7)12(19-6)9(8)21-13;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,8-9,12,14H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/t6-,8-,9-,12-;/m1./s1 |
| InChIKey | CCNNELIKUUNVPJ-OUTCZKRVSA-N |
| Mol Weight | 461.49 g/mol |
| Molecular Formula | C20H23N5O6S |
| Exact Mass | 461.136905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FHle9XrpJDt |
|---|---|
| Name | CCNNELIKUUNVPJ-OUTCZKRVSA-N |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H23N5O6S |
| InChI | InChI=1S/C13H15N5O3.C7H8O3S/c1-13(2)20-8-6-3-17-4-16-10(14)7-11(17)18(5-15-7)12(19-6)9(8)21-13;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,8-9,12,14H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/t6-,8-,9-,12-;/m1./s1 |
| InChIKey | CCNNELIKUUNVPJ-OUTCZKRVSA-N |
| Literature Reference Author | J.UZAWA,K.ANZAI |
| Literature Reference Citation | CAN.J.CHEM.,63,3537(1985) |
| Literature Reference DOI | 10.1139/v85-580 |
| Molecular Weight | 461.493 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS6829 |