| SpectraBase Compound ID | GGOEcZu64Sf |
|---|---|
| InChI | InChI=1S/C17H18N6O7S/c18-17-20-14-11(19-6-22(14)16-13(27)12(26)10(4-24)30-16)15(21-17)31-5-7-3-8(23(28)29)1-2-9(7)25/h1-3,6,10,12-13,16,24-27H,4-5H2,(H2,18,20,21)/t10-,12-,13-,16-/m1/s1 |
| InChIKey | JXIKYSYYTDTHBG-XNIJJKJLSA-N |
| Mol Weight | 450.43 g/mol |
| Molecular Formula | C17H18N6O7S |
| Exact Mass | 450.095768 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 2R9hB6igDFC |
|---|---|
| Name | S-(2-Hydroxy-5-nitrobenzyl)-6-thioguanosine |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 862223 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H18N6O7S |
| InChI | InChI=1S/C17H18N6O7S/c18-17-20-14-11(19-6-22(14)16-13(27)12(26)10(4-24)30-16)15(21-17)31-5-7-3-8(23(28)29)1-2-9(7)25/h1-3,6,10,12-13,16,24-27H,4-5H2,(H2,18,20,21)/t10-,12-,13-,16-/m1/s1 |
| InChIKey | JXIKYSYYTDTHBG-XNIJJKJLSA-N |
| Molecular Weight | 450.426 g/mol |
| Observed nucleus | 13C |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_13CNMR_015150 |