| SpectraBase Spectrum ID |
2tubkbItRE4 |
| Name |
1,3-Didodecylurea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.407964301 u |
| Formula |
C25H52N2O |
| InChI |
InChI=1S/C25H52N2O/c1-3-5-7-9-11-13-15-17-19-21-23-26-25(28)27-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H2,26,27,28) |
| InChIKey |
YLOGJPLTYYDQCN-UHFFFAOYSA-N |
| Molecular Weight |
396.704 g/mol |
| SMILES |
C(CCNC(=O)NCCCCCCCCCCCC)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932706 |
