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Etofenamate-m/artifact (oxoethyl-) P1048

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Etofenamate-m/artifact (oxoethyl-) P1048
SpectraBase Compound ID AP3Je2ZLADN
InChI InChI=1S/C16H12F3NO3/c17-16(18,19)11-4-3-5-12(10-11)20-14-7-2-1-6-13(14)15(22)23-9-8-21/h1-8,10,20H,9H2
InChIKey JMHJYPDCXIJVQM-UHFFFAOYSA-N
Mol Weight 323.27 g/mol
Molecular Formula C16H12F3NO3
Exact Mass 323.076928 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BfIToJh0ypn
Name Etofenamate-m/artifact (oxoethyl-) P1048
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.076927736 u
Formula C16H12F3NO3
InChI InChI=1S/C16H12F3NO3/c17-16(18,19)11-4-3-5-12(10-11)20-14-7-2-1-6-13(14)15(22)23-9-8-21/h1-8,10,20H,9H2
InChIKey JMHJYPDCXIJVQM-UHFFFAOYSA-N
Molecular Weight 323.271 g/mol
SMILES C=1C=C(C(=O)OCC=O)C(NC=2C=C(C(F)(F)F)C=CC2)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.810517