| SpectraBase Spectrum ID |
5ZKsqwmLAOs |
| Name |
2C-tfe N-(4-Methoxybenzyl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.170828123 u |
| Formula |
C20H24F3NO3 |
| InChI |
InChI=1S/C20H24F3NO3/c1-25-17-6-4-14(5-7-17)13-24-9-8-15-10-19(27-3)16(11-18(15)26-2)12-20(21,22)23/h4-7,10-11,24H,8-9,12-13H2,1-3H3 |
| InChIKey |
IBFJIQUDLXCZGL-UHFFFAOYSA-N |
| Molecular Weight |
383.411 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)CCNCC=1C=CC(=CC1)OC)OC)CC(F)(F)F)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961774 |
