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4-Methyl-N-pentafluorophenylbenzamide

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

4-Methyl-N-pentafluorophenylbenzamide
SpectraBase Compound ID 32OMCIA1Gsk
InChI InChI=1S/C14H8F5NO/c1-6-2-4-7(5-3-6)14(21)20-13-11(18)9(16)8(15)10(17)12(13)19/h2-5H,1H3,(H,20,21)
InChIKey MTMLFLYYHMZUEF-UHFFFAOYSA-N
Mol Weight 301.22 g/mol
Molecular Formula C14H8F5NO
Exact Mass 301.052605 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GWKUvBlj6FB
Name 4-Methyl-N-pentafluorophenylbenzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.052604696 u
Formula C14H8F5NO
InChI InChI=1S/C14H8F5NO/c1-6-2-4-7(5-3-6)14(21)20-13-11(18)9(16)8(15)10(17)12(13)19/h2-5H,1H3,(H,20,21)
InChIKey MTMLFLYYHMZUEF-UHFFFAOYSA-N
Molecular Weight 301.216 g/mol
SMILES C(NC1=C(C(=C(F)C(=C1F)F)F)F)(=O)C1=CC=C(C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914057