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N-(2H-1,3-Benzodioxol-5-yl)-2,2,2-trifluoroacetamide

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

N-(2H-1,3-Benzodioxol-5-yl)-2,2,2-trifluoroacetamide
SpectraBase Compound ID JNh5oJDuGgQ
InChI InChI=1S/C9H6F3NO3/c10-9(11,12)8(14)13-5-1-2-6-7(3-5)16-4-15-6/h1-3H,4H2,(H,13,14)
InChIKey FVXFPFROGMJLED-UHFFFAOYSA-N
Mol Weight 233.15 g/mol
Molecular Formula C9H6F3NO3
Exact Mass 233.029978 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E1njumjn55b
Name N-(2H-1,3-Benzodioxol-5-yl)-2,2,2-trifluoroacetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.029977543 u
Formula C9H6F3NO3
InChI InChI=1S/C9H6F3NO3/c10-9(11,12)8(14)13-5-1-2-6-7(3-5)16-4-15-6/h1-3H,4H2,(H,13,14)
InChIKey FVXFPFROGMJLED-UHFFFAOYSA-N
Molecular Weight 233.146 g/mol
SMILES C12=CC(=CC=C2OCO1)NC(C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942714