| SpectraBase Spectrum ID |
FqoSYSiQsw8 |
| Name |
1,1,3-Tris(3,5-dimethyl-2-ethoxybenzyl)urea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
546.345757965 u |
| Formula |
C34H46N2O4 |
| InChI |
InChI=1S/C34H46N2O4/c1-10-38-31-25(7)13-22(4)16-28(31)19-35-34(37)36(20-29-17-23(5)14-26(8)32(29)39-11-2)21-30-18-24(6)15-27(9)33(30)40-12-3/h13-18H,10-12,19-21H2,1-9H3,(H,35,37) |
| InChIKey |
BHDIKOCFOAQTHX-UHFFFAOYSA-N |
| Molecular Weight |
546.752 g/mol |
| SMILES |
N(CC1=CC(=CC(=C1OCC)C)C)C(N(CC=1C=C(C=C(C1OCC)C)C)CC=1C=C(C=C(C1OCC)C)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.933303 |
