| SpectraBase Spectrum ID |
73nfitxDqAm |
| Name |
1,3-bis-(3-Methylnon-2-en-4-ynyl)urea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.251463657 u |
| Formula |
C21H32N2O |
| InChI |
InChI=1S/C21H32N2O/c1-5-7-9-11-13-19(3)15-17-22-21(24)23-18-16-20(4)14-12-10-8-6-2/h15-16H,5-10,17-18H2,1-4H3,(H2,22,23,24)/b19-15+,20-16+ |
| InChIKey |
ZSPUDMMZKKQWHH-MXWIWYRXSA-N |
| Molecular Weight |
328.500 g/mol |
| SMILES |
C(NC\C=C\(C#CCCCC)C)(=O)NC\C=C\(C#CCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930363 |
