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2-Methylbenzene-1,4-diamine, N1,N4-bis(pentafluoropropionyl)-

View entire compound with spectra: 1 FTIR

2-Methylbenzene-1,4-diamine, N1,N4-bis(pentafluoropropionyl)-
SpectraBase Compound ID Fm6JutxprmW
InChI InChI=1S/C13H8F10N2O2/c1-5-4-6(24-8(26)10(14,15)12(18,19)20)2-3-7(5)25-9(27)11(16,17)13(21,22)23/h2-4H,1H3,(H,24,26)(H,25,27)
InChIKey KIEUVGHKDXZHCS-UHFFFAOYSA-N
Mol Weight 414.2 g/mol
Molecular Formula C13H8F10N2O2
Exact Mass 414.042609 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JEGBFNc9A2M
Name 2-Methylbenzene-1,4-diamine, N1,N4-bis(pentafluoropropionyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.042609134 u
Formula C13H8F10N2O2
InChI InChI=1S/C13H8F10N2O2/c1-5-4-6(24-8(26)10(14,15)12(18,19)20)2-3-7(5)25-9(27)11(16,17)13(21,22)23/h2-4H,1H3,(H,24,26)(H,25,27)
InChIKey KIEUVGHKDXZHCS-UHFFFAOYSA-N
Molecular Weight 414.203 g/mol
SMILES C1(=CC(=CC=C1NC(=O)C(C(F)(F)F)(F)F)NC(=O)C(C(F)(F)F)(F)F)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875316