| SpectraBase Spectrum ID |
DWC4NDhR8R8 |
| Name |
3C-fe N-(2-Fluorobenzyl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.180249992 u |
| Formula |
C20H25F2NO3 |
| InChI |
InChI=1S/C20H25F2NO3/c1-14(23-13-16-6-4-5-7-17(16)22)10-15-11-18(24-2)20(26-9-8-21)19(12-15)25-3/h4-7,11-12,14,23H,8-10,13H2,1-3H3 |
| InChIKey |
OVQCLXVAXSUPOF-UHFFFAOYSA-N |
| Molecular Weight |
365.421 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC)CC(NCC=1C(=CC=CC1)F)C)OC)OCCF |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863462 |
