| SpectraBase Spectrum ID |
AgWJDVZME0H |
| Name |
cis-Bromuconazole |
| Source of Sample |
Sigma-Aldrich Cat. #31644 |
| CAS Registry Number |
114544-81-9 |
| 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 |
374.954080417 u |
| Formula |
C13H12BrCl2N3O |
| InChI |
InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2/t9-,13+/m1/s1 |
| InChIKey |
HJJVPARKXDDIQD-RNCFNFMXSA-N |
| Molecular Weight |
377.069 g/mol |
| Number of Peaks |
255 |
| RI1 |
2447 |
| SMILES |
c1n[n](cn1)C[C@]1(OC[C@@](C1)(Br)[H])c1c(cc(cc1)Cl)Cl |
| SPLASH |
splash10-00fs-1950000000-fbc35a86719b9e5de062 |
| 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-[[[(2R,4R)]-4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl]methyl]-, rel- |
| Wiley ID |
LM_PEST_757 |
