| SpectraBase Spectrum ID |
5DB25FM59dh |
| Name |
Pentachlorophenol |
| Source of Sample |
Sigma-Aldrich Cat. #48555-U |
| CAS Registry Number |
87-86-5 |
| Classification |
Pesticides: Fungicides |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
263.847003151 u |
| Formula |
C6HCl5O |
| InChI |
InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H |
| InChIKey |
IZUPBVBPLAPZRR-UHFFFAOYSA-N |
| Molecular Weight |
266.338 g/mol |
| Number of Peaks |
49 |
| RI1 |
1744 |
| SMILES |
Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl |
| SPLASH |
splash10-014i-1390000000-42ceea5c2158315995d6 |
| 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 |
Phenol, 2,3,4,5,6-pentachloro- |
| Wiley ID |
LM_PEST_224 |
