| SpectraBase Spectrum ID |
BOSMUZNekC8 |
| Name |
2',3'-Dichloro-2-methyl-2-(2,4,6,-trichlorophenoxy)propionanilide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.931067128 u |
| Formula |
C16H12Cl5NO2 |
| InChI |
InChI=1S/C16H12Cl5NO2/c1-16(2,24-14-10(19)6-8(17)7-11(14)20)15(23)22-12-5-3-4-9(18)13(12)21/h3-7H,1-2H3,(H,22,23) |
| InChIKey |
OJTUOJAKLADIMM-UHFFFAOYSA-N |
| Molecular Weight |
427.542 g/mol |
| SMILES |
N(C=1C(Cl)=C(Cl)C=CC1)C(=O)C(C)(OC1=C(Cl)C=C(Cl)C=C1Cl)C |
| Spectrum/Structure Validation Score (Raman) |
0.783312 |
