| SpectraBase Spectrum ID |
5a5cpRcMTwv |
| Name |
Wy 14643 |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
70730 |
| Lot Number |
0518586-5 |
| CAS Registry Number |
50892-23-4 |
| Cell Type |
Capillary tube |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H14ClN3O2S |
| IUPAC Name |
[[4-Chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]acetic acid |
| 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 |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power |
1200 mW |
| Raman Laser Source |
Nd:YAG |
| SMILES |
N(c1c(c(ccc1)C)C)c1nc(SCC(O)=O)nc(c1)Cl |
| Scans Performed |
2176 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
Pirinixic acid |
| Technique |
FT-Raman |
