SpectraBase Spectrum ID |
B81fDD4n6DN |
Name |
4-Methoxybenzylamine, N,N-bis(pentafluoropropionyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
429.042274781 u |
Formula |
C14H9F10NO3 |
InChI |
InChI=1S/C14H9F10NO3/c1-28-8-4-2-7(3-5-8)6-25(9(26)11(15,16)13(19,20)21)10(27)12(17,18)14(22,23)24/h2-5H,6H2,1H3 |
InChIKey |
CQRPRLIGVBUDRQ-UHFFFAOYSA-N |
Molecular Weight |
429.214 g/mol |
SMILES |
C1=C(C=CC(=C1)OC)CN(C(=O)C(F)(C(F)(F)F)F)C(C(C(F)(F)F)(F)F)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898177 |