| SpectraBase Spectrum ID |
KiylVR6ICXb |
| Name |
BDW568 |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
39708 |
| Lot Number |
0695624-1 |
| Accessory |
DurasamplIR II |
| CAS Registry Number |
335401-44-0 |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.040167988 u |
| Formula |
C12H12N4O2S2 |
| InChI |
InChI=1S/C12H12N4O2S2/c1-6-7(2)20-11-9(6)10-14-15-12(16(10)5-13-11)19-4-8(17)18-3/h5H,4H2,1-3H3 |
| InChIKey |
RNNRGNUAQCUYEG-UHFFFAOYSA-N |
| Instrument Name |
Bio-Rad FTS |
| Molecular Weight |
308.374 g/mol |
| Purity |
≥98% |
| Resolution |
4 |
| SMILES |
C(CSC1=NN=C2N1C=NC1=C2C(=C(S1)C)C)(=O)OC |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
2-[(8,9-dimethylthieno[3,2-e]-1,2,4-triazolo[4,3-c]pyrimidin-3-yl)thio]-acetic acid, methyl ester |
| Technique |
ATR-Neat |
