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4-(Diethylcarbamoyl)-2-methoxyphenyl 2,2,2-trifluoroacetate

View entire compound with spectra: 1 NMR, and 1 FTIR

4-(Diethylcarbamoyl)-2-methoxyphenyl 2,2,2-trifluoroacetate
SpectraBase Compound ID Dzj5cr7lMXl
InChI InChI=1S/C14H16F3NO4/c1-4-18(5-2)12(19)9-6-7-10(11(8-9)21-3)22-13(20)14(15,16)17/h6-8H,4-5H2,1-3H3
InChIKey VTBDUUMZJNTFMX-UHFFFAOYSA-N
Mol Weight 319.28 g/mol
Molecular Formula C14H16F3NO4
Exact Mass 319.103142 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1H75b559bYG
Name 4-(Diethylcarbamoyl)-2-methoxyphenyl 2,2,2-trifluoroacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.103142484 u
Formula C14H16F3NO4
InChI InChI=1S/C14H16F3NO4/c1-4-18(5-2)12(19)9-6-7-10(11(8-9)21-3)22-13(20)14(15,16)17/h6-8H,4-5H2,1-3H3
InChIKey VTBDUUMZJNTFMX-UHFFFAOYSA-N
Molecular Weight 319.280 g/mol
SMILES C1=C(C=CC(=C1OC)OC(=O)C(F)(F)F)C(N(CC)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92226