| SpectraBase Spectrum ID |
FL6rwbUChJz |
| Name |
Thiocyanic acid, 4-amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.895494794 u |
| Formula |
C13H6Cl4N2OS |
| InChI |
InChI=1S/C13H6Cl4N2OS/c14-6-1-8(16)11(3-7(6)15)20-12-4-13(21-5-18)9(17)2-10(12)19/h1-4H,19H2 |
| InChIKey |
KPNRBRAYWRNRPO-UHFFFAOYSA-N |
| Molecular Weight |
380.076 g/mol |
| SMILES |
C1(OC2=C(Cl)C=C(C(=C2)Cl)Cl)=CC(SC#N)=C(C=C1N)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967704 |
