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 |