| SpectraBase Spectrum ID |
5ZK1GrdlzLr |
| Name |
2C-tfe N,N-bis(4-Methoxybenzyl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
503.228342999 u |
| Formula |
C28H32F3NO4 |
| InChI |
InChI=1S/C28H32F3NO4/c1-33-24-9-5-20(6-10-24)18-32(19-21-7-11-25(34-2)12-8-21)14-13-22-15-27(36-4)23(16-26(22)35-3)17-28(29,30)31/h5-12,15-16H,13-14,17-19H2,1-4H3 |
| InChIKey |
HYIGHLSIWJXJOY-UHFFFAOYSA-N |
| Molecular Weight |
503.562 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)OC)CC(F)(F)F)OC)CCN(CC=1C=CC(=CC1)OC)CC1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899025 |
