| SpectraBase Spectrum ID |
D41PcQgos2h |
| Name |
Hexaconazole |
| Source of Sample |
Sigma-Aldrich Cat. #34348 |
| CAS Registry Number |
79983-71-4 |
| Classification |
Pesticides: Fungicides |
| 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 |
313.074867578 u |
| Formula |
C14H17Cl2N3O |
| InChI |
InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3 |
| InChIKey |
STMIIPIFODONDC-UHFFFAOYSA-N |
| Molecular Weight |
314.216 g/mol |
| Number of Peaks |
236 |
| RI1 |
2150 |
| SMILES |
OC(c1c(cc(cc1)Cl)Cl)(C[n]1ncnc1)CCCC |
| SPLASH |
splash10-001i-9660000000-739987f9423040253960 |
| 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 |
1H-1,2,4-Triazole-1-ethanol, alpha-butyl-alpha-(2,4-dichlorophenyl)- |
| Wiley ID |
LM_PEST_107 |
