| SpectraBase Spectrum ID |
DZH59ZzVQf |
| Name |
PK68 |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
36653 |
| Lot Number |
0694905-1 |
| Accessory |
DurasamplIR II |
| CAS Registry Number |
2173556-69-7 |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.156911820 u |
| Formula |
C22H24N4O3S |
| InChI |
InChI=1S/C22H24N4O3S/c1-13-19(26-22(28)29-17-6-4-3-5-7-17)10-16(12-23-13)15-8-9-18-20(11-15)30-21(25-18)24-14(2)27/h8-12,17H,3-7H2,1-2H3,(H,26,28)(H,24,25,27) |
| InChIKey |
DRCNWQYEKZTTEW-UHFFFAOYSA-N |
| Instrument Name |
Bio-Rad FTS |
| Molecular Weight |
424.519 g/mol |
| Purity |
≥98% |
| Resolution |
4 |
| SMILES |
C(NC=1C(=NC=C(C1)C1=CC=C2N=C(SC2=C1)NC(=O)C)C)(=O)OC1CCCCC1 |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
N-[5-[2-(acetylamino)-6-benzothiazolyl]-2-methyl-3-pyridinyl]-carbamic acid, cyclohexyl ester |
| Technique |
ATR-Neat |
