| SpectraBase Spectrum ID |
85k2LOPfDMG |
| Name |
6-Chloro-o-tolyl 2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.022305340 u |
| Formula |
C14H9ClF3NO3 |
| InChI |
InChI=1S/C14H9ClF3NO3/c1-8-3-2-4-10(15)13(8)22-12-6-5-9(14(16,17)18)7-11(12)19(20)21/h2-7H,1H3 |
| InChIKey |
NEBDEEMAEAGUBV-UHFFFAOYSA-N |
| Molecular Weight |
331.678 g/mol |
| SMILES |
C(F)(F)(F)C=1C=C(C(=CC1)OC=1C(=CC=CC1Cl)C)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.843283 |
