| SpectraBase Spectrum ID |
MLWV0wJffd |
| Name |
4-Methylbenzylamine, N,N-bis(heptafluorobutyryl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
513.040972814 u |
| Formula |
C16H9F14NO2 |
| InChI |
InChI=1S/C16H9F14NO2/c1-7-2-4-8(5-3-7)6-31(9(32)11(17,18)13(21,22)15(25,26)27)10(33)12(19,20)14(23,24)16(28,29)30/h2-5H,6H2,1H3 |
| InChIKey |
YMRLNJMEAIFGFB-UHFFFAOYSA-N |
| Molecular Weight |
513.231 g/mol |
| SMILES |
C1(=CC=C(C=C1)C)CN(C(=O)C(C(F)(C(F)(F)F)F)(F)F)C(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831229 |
