| SpectraBase Spectrum ID |
HojTEnindzK |
| Name |
2-Methylbenzene-1,4-diamine, N1,N4-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/c1-5-4-6(30-8(32)10(16,17)12(20,21)14(24,25)26)2-3-7(5)31-9(33)11(18,19)13(22,23)15(27,28)29/h2-4H,1H3,(H,30,32)(H,31,33) |
| InChIKey |
CKNOZWDPTIZQOH-UHFFFAOYSA-N |
| Molecular Weight |
514.219 g/mol |
| SMILES |
C1(C)=C(C=CC(=C1)NC(=O)C(C(F)(C(F)(F)F)F)(F)F)NC(=O)C(F)(C(C(F)(F)F)(F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919132 |
