| SpectraBase Spectrum ID |
FG3UnxOqmIb |
| Name |
.alpha.-[2-Nitro-4-trifluoromethylphenyl]-2,3-dichlorocinnamic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.978247627 u |
| Formula |
C16H8Cl2F3NO4 |
| InChI |
InChI=1S/C16H8Cl2F3NO4/c17-12-3-1-2-8(14(12)18)6-11(15(23)24)10-5-4-9(16(19,20)21)7-13(10)22(25)26/h1-7H,(H,23,24)/b11-6- |
| InChIKey |
CNOOJFVYDBCDBJ-WDZFZDKYSA-N |
| Molecular Weight |
406.144 g/mol |
| SMILES |
C1(=C(C=CC=C1Cl)\C=C/(C(O)=O)C1=C(C=C(C=C1)C(F)(F)F)N(=O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891442 |
![.alpha.-[2-Nitro-4-trifluoromethylphenyl]-2,3-dichlorocinnamic acid](/api/spectrum/FG3UnxOqmIb/structure.png?h=300&w=458 ".alpha.-[2-Nitro-4-trifluoromethylphenyl]-2,3-dichlorocinnamic acid")
