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2,4-Diaminotoluene, N,N'-bis(heptafluorobutyryl)-

View entire compound with spectra: 1 FTIR

2,4-Diaminotoluene, N,N'-bis(heptafluorobutyryl)-
SpectraBase Compound ID AU7EnobTlxC
InChI InChI=1S/C15H8F14N2O2/c1-5-2-3-6(30-8(32)10(16,17)12(20,21)14(24,25)26)4-7(5)31-9(33)11(18,19)13(22,23)15(27,28)29/h2-4H,1H3,(H,30,32)(H,31,33)
InChIKey MYXAYYNMNFJMOD-UHFFFAOYSA-N
Mol Weight 514.22 g/mol
Molecular Formula C15H8F14N2O2
Exact Mass 514.036222 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FmEOjqzBqqt
Name 2,4-Diaminotoluene, N,N'-bis(heptafluorobutyryl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 514.036221786 u
Formula C15H8F14N2O2
InChI InChI=1S/C15H8F14N2O2/c1-5-2-3-6(30-8(32)10(16,17)12(20,21)14(24,25)26)4-7(5)31-9(33)11(18,19)13(22,23)15(27,28)29/h2-4H,1H3,(H,30,32)(H,31,33)
InChIKey MYXAYYNMNFJMOD-UHFFFAOYSA-N
Molecular Weight 514.219 g/mol
SMILES C1=C(C=CC(=C1NC(=O)C(C(C(F)(F)F)(F)F)(F)F)C)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.81173