| SpectraBase Spectrum ID |
IrLGyjhiil3 |
| Name |
2,3-Dimethoxyphenylmethyl 4-chlorophenyl ketone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.070972040 u |
| Formula |
C16H15ClO3 |
| InChI |
InChI=1S/C16H15ClO3/c1-19-15-5-3-4-12(16(15)20-2)10-14(18)11-6-8-13(17)9-7-11/h3-9H,10H2,1-2H3 |
| InChIKey |
JTYXXJKRQMZHIW-UHFFFAOYSA-N |
| SMILES |
C=1(C(=C(OC)C=CC1)OC)CC(C=1C=CC(=CC1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941303 |
