| SpectraBase Spectrum ID |
5MI8vaPGgxG |
| Name |
1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone |
| Source of Sample |
LGC Cat. #DRE-C17178720; www.lgcstandards.com |
| CAS Registry Number |
66346-01-8 |
| Classification |
Pesticides |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
224.096792866 u |
| Formula |
C13H17ClO |
| InChI |
InChI=1S/C13H17ClO/c1-13(2,3)12(15)9-6-10-4-7-11(14)8-5-10/h4-5,7-8H,6,9H2,1-3H3 |
| InChIKey |
ILQGIJDYSLHIOX-UHFFFAOYSA-N |
| Molecular Weight |
224.731 g/mol |
| Number of Peaks |
154 |
| RI1 |
1615 |
| RI2 |
1582 |
| SMILES |
C(CC(C(C)(C)C)=O)c1ccc(cc1)Cl |
| SPLASH |
splash10-0a6r-7900000000-93753fd18c03e2d30574 |
| Sample Comments |
RI1: measured on SLB-5ms (Alkanes)
RI2: measured on Equity-1 (Alkanes) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
3-Pentanone, 1-(4-chlorophenyl)-4,4-dimethyl- |
| Wiley ID |
LM_PEST_1026 |
