| SpectraBase Compound ID | 4uqDHVPuSS0 |
|---|---|
| InChI | InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) |
| InChIKey | SZRPDCCEHVWOJX-UHFFFAOYSA-N |
| Mol Weight | 323.8 g/mol |
| Molecular Formula | C14H14ClN3O2S |
| Exact Mass | 323.049526 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | nlkLGUGHq2 |
|---|---|
| Name | {[4-chloro-6-(2,3-xylidino)-2-pyrimidinyl]thio}acetic acid |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H14ClN3O2S |
| InChI | InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) |
| InChIKey | SZRPDCCEHVWOJX-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 61669M |
| Solvent | DMSO-d6 |