| SpectraBase Spectrum ID |
ENXbnP1u3E3 |
| Name |
Phenol, 5-(2-chloro-5-trifluoromethylphenoxy)-2-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.001569894 u |
| Formula |
C13H7ClF3NO4 |
| InChI |
InChI=1S/C13H7ClF3NO4/c14-9-3-1-7(13(15,16)17)5-12(9)22-8-2-4-10(18(20)21)11(19)6-8/h1-6,19H |
| InChIKey |
LAQHVVDEDALXRE-UHFFFAOYSA-N |
| Molecular Weight |
333.650 g/mol |
| SMILES |
C1=C(C=C(C(=C1)N(=O)=O)O)OC=1C=C(C(F)(F)F)C=CC1Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868407 |
