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3-Methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzaldehyde
SpectraBase Compound ID IhAIwUeUtpM
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
Mol Weight 341.24 g/mol
Molecular Formula C15H10F3NO5
Exact Mass 341.051107 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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