| SpectraBase Spectrum ID |
9wa3lQ9XCfp |
| Name |
Butoconazole nitrate |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
23554 |
| Lot Number |
0516726-1 |
| CAS Registry Number |
64872-77-1 |
| Cell Type |
NMR tube |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H18Cl3N3O3S |
| IUPAC Name |
1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-1H-imidazole, mononitrate |
| InChI |
InChI=1S/C19H17Cl3N2S.HNO3/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22;2-1(3)4/h1-5,7-8,10-11,13,16H,6,9,12H2;(H,2,3,4) |
| InChIKey |
ZHPWRQIPPNZNML-UHFFFAOYSA-N |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power |
1200 mW |
| Raman Laser Source |
Nd:YAG |
| SMILES |
c1cc(ccc1CCC(Sc1c(cccc1Cl)Cl)C[n]1ccnc1)Cl.O[N+](=O)[O-] |
| Scans Performed |
2304 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
(+/-)-Butoconazole; RS-35887 |
| Technique |
FT-Raman |
