| SpectraBase Spectrum ID |
5WmoBdkJyj2 |
| Name |
Fipronil |
| CAS Registry Number |
120068-37-3 |
| Classification |
Insecticide |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
435.938706316 u |
| Formula |
C12H4Cl2F6N4OS |
| InChI |
InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2 |
| InChIKey |
ZOCSXAVNDGMNBV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
437.147 g/mol |
| Nominal Mass |
436 u |
| Quality |
999 |
| Retention Index |
2044 |
| SMILES |
NC=1N(C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N=C(C1S(C(F)(F)F)=O)C#N |
| SPLASH |
splash10-014i-1369000000-44a8de42df55b5653499 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile
(RS)-5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)- 4-trifluoromethylsulfinyl- 1H-\rpyrazol- 3-carbonitril |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022665 |
