SpectraBase Spectrum ID |
DuWXy7OQ5LY |
Name |
4'-Chloro-3-(dimethylamino)propiophenone hydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
247.053069506 u |
Formula |
C11H15Cl2NO |
InChI |
InChI=1S/C11H14ClNO.ClH/c1-13(2)8-7-11(14)9-3-5-10(12)6-4-9;/h3-6H,7-8H2,1-2H3;1H |
InChIKey |
MQURAWQCJQTMJM-UHFFFAOYSA-N |
Molecular Weight |
248.153 g/mol |
SMILES |
Cl.C=1C(=CC=C(C1)Cl)C(CCN(C)C)=O |
Spectrum/Structure Validation Score (Raman) |
0.927379 |