SpectraBase Spectrum ID |
HaEyXcdNmu3 |
Name |
2-Chloro-6-{p-[3-(dimethylamino)acryloyl]phenoxy}benzonitrile |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
326.082205429 u |
Formula |
C18H15ClN2O2 |
InChI |
InChI=1S/C18H15ClN2O2/c1-21(2)11-10-17(22)13-6-8-14(9-7-13)23-18-5-3-4-16(19)15(18)12-20/h3-11H,1-2H3 |
InChIKey |
TTWCBSZHMSVJBI-UHFFFAOYSA-N |
Molecular Weight |
326.783 g/mol |
SMILES |
C=1C(=C(C(=CC1)OC=1C=CC(=CC1)C(C=CN(C)C)=O)C#N)Cl |
Spectrum/Structure Validation Score (Raman) |
0.923878 |