| SpectraBase Spectrum ID |
KB16BYjxErp |
| Name |
1-(5-Chloro-2-hydroxyphenyl)-3-(dimethylamino)-1-propanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
227.071306393 u |
| Formula |
C11H14ClNO2 |
| InChI |
InChI=1S/C11H14ClNO2/c1-13(2)6-5-11(15)9-7-8(12)3-4-10(9)14/h3-4,7,14H,5-6H2,1-2H3 |
| InChIKey |
NUCAXZVTRKOCOK-UHFFFAOYSA-N |
| Molecular Weight |
227.691 g/mol |
| SMILES |
C1(C(CCN(C)C)=O)=C(C=CC(=C1)Cl)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933578 |
