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4-Tert-butyl-1,2-diaminobenzene, N,N'-bis(trifluoroacetyl)-
SpectraBase Compound ID EdfFBI3AWqw
InChI InChI=1S/C14H14F6N2O2/c1-12(2,3)7-4-5-8(21-10(23)13(15,16)17)9(6-7)22-11(24)14(18,19)20/h4-6H,1-3H3,(H,21,23)(H,22,24)
InChIKey PODAWRCIQBDWEE-UHFFFAOYSA-N
Mol Weight 356.27 g/mol
Molecular Formula C14H14F6N2O2
Exact Mass 356.095947 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J87eW0NyCGs
Name 4-Tert-butyl-1,2-diaminobenzene, N,N'-bis(trifluoroacetyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.095946675 u
Formula C14H14F6N2O2
InChI InChI=1S/C14H14F6N2O2/c1-12(2,3)7-4-5-8(21-10(23)13(15,16)17)9(6-7)22-11(24)14(18,19)20/h4-6H,1-3H3,(H,21,23)(H,22,24)
InChIKey PODAWRCIQBDWEE-UHFFFAOYSA-N
Molecular Weight 356.268 g/mol
SMILES C1(NC(C(F)(F)F)=O)=C(C=CC(=C1)C(C)(C)C)NC(C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.832524