![[(6-purinyl)thio]acetic acid, ethyl ester, hydrate](/api/spectrum/4kKvucrMVLf/structure.png?h=300&w=458 "[(6-purinyl)thio]acetic acid, ethyl ester, hydrate")
| SpectraBase Compound ID | G5ReC59csuE |
|---|---|
| InChI | InChI=1S/C9H10N4O2S.H2O/c1-2-15-6(14)3-16-9-7-8(11-4-10-7)12-5-13-9;/h4-5H,2-3H2,1H3,(H,10,11,12,13);1H2 |
| InChIKey | PIOAWCZHYVVSGO-UHFFFAOYSA-N |
| Mol Weight | 256.28 g/mol |
| Molecular Formula | C9H12N4O3S |
| Exact Mass | 256.063011 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4kKvucrMVLf |
|---|---|
| Name | [(6-purinyl)thio]acetic acid, ethyl ester, hydrate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12N4O3S |
| InChI | InChI=1S/C9H10N4O2S.H2O/c1-2-15-6(14)3-16-9-7-8(11-4-10-7)12-5-13-9;/h4-5H,2-3H2,1H3,(H,10,11,12,13);1H2 |
| InChIKey | PIOAWCZHYVVSGO-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 23313M |
| Solvent | DMSO-d6 |