| SpectraBase Spectrum ID |
BSeZY1E4Imk |
| Name |
2,4-Dimethoxyaniline, N,N-bis(heptafluorobutyryl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
545.030802052 u |
| Formula |
C16H9F14NO4 |
| InChI |
InChI=1S/C16H9F14NO4/c1-34-6-3-4-7(8(5-6)35-2)31(9(32)11(17,18)13(21,22)15(25,26)27)10(33)12(19,20)14(23,24)16(28,29)30/h3-5H,1-2H3 |
| InChIKey |
MDOLZAYCRPITMB-UHFFFAOYSA-N |
| Molecular Weight |
545.229 g/mol |
| SMILES |
C1(=C(C=CC(=C1)OC)N(C(C(F)(C(F)(C(F)(F)F)F)F)=O)C(C(F)(C(F)(C(F)(F)F)F)F)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807751 |
