| SpectraBase Spectrum ID |
DcXaRvG7di6 |
| Name |
3',5'-Dichloro-2'-nitro-4-trifluoromethyl-.alpha.-phenylcinnamic 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/c17-10-6-11(14(22(25)26)13(18)7-10)12(15(23)24)5-8-1-3-9(4-2-8)16(19,20)21/h1-7H,(H,23,24)/b12-5+ |
| InChIKey |
LXPXNGZNNFOBFQ-LFYBBSHMSA-N |
| Molecular Weight |
406.144 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(F)(F)F)\C=C/(C1=CC(=CC(=C1N(=O)=O)Cl)Cl)C(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896518 |
