| SpectraBase Spectrum ID |
HtCYAXKKS4n |
| Name |
psi-Mbnm N,N-bis(3-fluorobenzyl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
517.242850250 u |
| Formula |
C32H33F2NO3 |
| InChI |
InChI=1S/C32H33F2NO3/c1-23(35(20-25-11-7-13-27(33)16-25)21-26-12-8-14-28(34)17-26)15-30-31(36-2)18-29(19-32(30)37-3)38-22-24-9-5-4-6-10-24/h4-14,16-19,23H,15,20-22H2,1-3H3 |
| InChIKey |
AKMLXSXJGIEKID-UHFFFAOYSA-N |
| Molecular Weight |
517.617 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC)OCC=1C=CC=CC1)OC)CC(N(CC=1C=C(C=CC1)F)CC=1C=C(C=CC1)F)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826578 |
