| SpectraBase Spectrum ID |
Deq1oNGsvTD |
| Name |
3-(2,4-Difluorophenyl)-1-heptyl-1-(p-neopentylbenzyl)urea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.279570112 u |
| Formula |
C26H36F2N2O |
| InChI |
InChI=1S/C26H36F2N2O/c1-5-6-7-8-9-16-30(25(31)29-24-15-14-22(27)17-23(24)28)19-21-12-10-20(11-13-21)18-26(2,3)4/h10-15,17H,5-9,16,18-19H2,1-4H3,(H,29,31) |
| InChIKey |
QKJLDOBXDUVGEE-UHFFFAOYSA-N |
| Molecular Weight |
430.584 g/mol |
| SMILES |
N(C1=CC=C(F)C=C1F)C(N(CC=1C=CC(=CC1)CC(C)(C)C)CCCCCCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.814802 |
