| SpectraBase Spectrum ID |
7K7FXYs3xhy |
| Name |
1,1-Dibutyl-3-(3,4-xylyl)urea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.220163529 u |
| Formula |
C17H28N2O |
| InChI |
InChI=1S/C17H28N2O/c1-5-7-11-19(12-8-6-2)17(20)18-16-10-9-14(3)15(4)13-16/h9-10,13H,5-8,11-12H2,1-4H3,(H,18,20) |
| InChIKey |
AIYSSRSKDGVHAF-UHFFFAOYSA-N |
| Molecular Weight |
276.424 g/mol |
| SMILES |
N(C1=CC=C(C(=C1)C)C)C(N(CCCC)CCCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.965804 |
