SpectraBase Spectrum ID |
DFlsrd6ZbUL |
Name |
3-Methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzaldehyde |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
341.051106910 u |
Formula |
C15H10F3NO5 |
InChI |
InChI=1S/C15H10F3NO5/c1-23-14-6-9(8-20)2-4-13(14)24-12-5-3-10(15(16,17)18)7-11(12)19(21)22/h2-8H,1H3 |
InChIKey |
OSAFDLLORPBBMX-UHFFFAOYSA-N |
Molecular Weight |
341.242 g/mol |
SMILES |
C(F)(F)(F)C1=CC(=C(C=C1)OC1=C(C=C(C=C1)C=O)OC)N(=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940343 |