| SpectraBase Spectrum ID |
FbcRe0Wl4z6 |
| Name |
6-(3,4-Dimethoxyphenyl)hexan-2-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/c1-11(15)6-4-5-7-12-8-9-13(16-2)14(10-12)17-3/h8-10H,4-7H2,1-3H3 |
| InChIKey |
MPUSIPWZRGFZKZ-UHFFFAOYSA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
C=1(C(=CC=C(C1)CCCCC(=O)C)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969238 |
