| SpectraBase Spectrum ID |
8sk8zyuv1UJ |
| Name |
1-(3,4-Dimethoxyphenyl)hexan-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.141244501 u |
| Formula |
C14H20O3 |
| InChI |
InChI=1S/C14H20O3/c1-4-5-12(15)8-6-11-7-9-13(16-2)14(10-11)17-3/h7,9-10H,4-6,8H2,1-3H3 |
| InChIKey |
PQRJLNAKELCEAC-UHFFFAOYSA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
C(CC(CCC)=O)C1=CC(=C(C=C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942322 |
