| SpectraBase Spectrum ID |
1KDysAhjPWX |
| Name |
HR68 |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
39855 |
| Lot Number |
0694991-1 |
| Accessory |
DurasamplIR II |
| CAS Registry Number |
2454582-64-8 |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.108420177 u |
| Formula |
C22H19ClN2O3 |
| InChI |
InChI=1S/C22H19ClN2O3/c1-22(2,21(27)25-18-11-13-24-14-12-18)28-19-9-5-16(6-10-19)20(26)15-3-7-17(23)8-4-15/h3-14H,1-2H3,(H,24,25,27) |
| InChIKey |
UUBDTDNTOJQKPE-UHFFFAOYSA-N |
| Instrument Name |
Bio-Rad FTS |
| Molecular Weight |
394.858 g/mol |
| Purity |
≥98% |
| Resolution |
4 |
| SMILES |
C(C(C)(C)OC=1C=CC(=CC1)C(C=1C=CC(=CC1)Cl)=O)(=O)NC1=CC=NC=C1 |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-4-pyridinyl-propanamide
PP21 |
| Technique |
ATR-Neat |
