![ethyl [2-({[(6-amino-9H-purin-8-yl)sulfanyl]acetyl}amino)-1,3-thiazol-5-yl]acetate](/api/spectrum/CDjcAJQImJs/structure.png?h=300&w=458 "ethyl [2-({[(6-amino-9H-purin-8-yl)sulfanyl]acetyl}amino)-1,3-thiazol-5-yl]acetate")
| SpectraBase Compound ID | DJVMbNPSU24 |
|---|---|
| InChI | InChI=1S/C14H15N7O3S2/c1-2-24-9(23)3-7-4-16-13(26-7)19-8(22)5-25-14-20-10-11(15)17-6-18-12(10)21-14/h4,6H,2-3,5H2,1H3,(H,16,19,22)(H3,15,17,18,20,21) |
| InChIKey | KAWJYLWZIBFQOI-UHFFFAOYSA-N |
| Mol Weight | 393.44 g/mol |
| Molecular Formula | C14H15N7O3S2 |
| Exact Mass | 393.06778 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | CDjcAJQImJs |
|---|---|
| Name | ethyl [2-({[(6-amino-9H-purin-8-yl)sulfanyl]acetyl}amino)-1,3-thiazol-5-yl]acetate |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 393.067779716 u |
| Formula | C14H15N7O3S2 |
| InChI | InChI=1S/C14H15N7O3S2/c1-2-24-9(23)3-7-4-16-13(26-7)19-8(22)5-25-14-20-10-11(15)17-6-18-12(10)21-14/h4,6H,2-3,5H2,1H3,(H,16,19,22)(H3,15,17,18,20,21) |
| InChIKey | KAWJYLWZIBFQOI-UHFFFAOYSA-N |
| Molecular Weight | 393.440 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_5279 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12318588 |