SpectraBase Spectrum ID |
27EuCGMzvAl |
Name |
Trans-1-(p-(dimethylamino)phenyl)-1-dodecen-3-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
301.240564621 u |
Formula |
C20H31NO |
InChI |
InChI=1S/C20H31NO/c1-4-5-6-7-8-9-10-11-20(22)17-14-18-12-15-19(16-13-18)21(2)3/h12-17H,4-11H2,1-3H3/b17-14+ |
InChIKey |
QYZCVSRMFDYMBF-SAPNQHFASA-N |
SMILES |
C1=C(C=CC(=C1)N(C)C)\C=C\C(CCCCCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950101 |