| SpectraBase Spectrum ID |
JiuCi0Cec17 |
| Name |
2-(2,5-Dimethoxyphenyl)cyclohex-2-enone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.109944372 u |
| Formula |
C14H16O3 |
| InChI |
InChI=1S/C14H16O3/c1-16-10-7-8-14(17-2)12(9-10)11-5-3-4-6-13(11)15/h5,7-9H,3-4,6H2,1-2H3 |
| InChIKey |
GZJQOZMQUCUURF-UHFFFAOYSA-N |
| Molecular Weight |
232.279 g/mol |
| SMILES |
C1=C(OC)C(C2=CCCCC2=O)=CC(=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961812 |
