| SpectraBase Spectrum ID |
DOwsLKEaznQ |
| Name |
1-(2-Hydroxy-3-methylphenyl)-1-hexanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.130679818 u |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-3-4-5-9-12(14)11-8-6-7-10(2)13(11)15/h6-8,15H,3-5,9H2,1-2H3 |
| InChIKey |
INIGKJYOHOGPLS-UHFFFAOYSA-N |
| Molecular Weight |
206.285 g/mol |
| SMILES |
C(CCCCC)(=O)C=1C(=C(C=CC1)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961884 |
