| SpectraBase Spectrum ID |
GOL9Ko4O1GK |
| Name |
XAV939 |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
13596 |
| Lot Number |
0621198-42 |
| Accessory |
DurasamplIR II |
| CAS Registry Number |
284028-89-3 |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.054418644 u |
| Formula |
C14H11F3N2OS |
| InChI |
InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20) |
| InChIKey |
KLGQSVMIPOVQAX-UHFFFAOYSA-N |
| Instrument Name |
Bio-Rad FTS |
| Molecular Weight |
312.310 g/mol |
| Purity |
≥98% |
| Resolution |
4 |
| SMILES |
C1(=NC2=C(C(N1)=O)CSCC2)C=1C=CC(=CC1)C(F)(F)F |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
3,5,7,8-tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one |
| Technique |
ATR-Neat |
