| SpectraBase Spectrum ID |
GcgZRZNSz2O |
| Name |
1-Octanone, 1-(2,5-dihydroxyphenyl)- |
| 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/c1-2-3-4-5-6-7-13(16)12-10-11(15)8-9-14(12)17/h8-10,15,17H,2-7H2,1H3 |
| InChIKey |
UVAFQENBAUNGJG-UHFFFAOYSA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
CCCCCCCC(=O)C1=CC(O)=CC=C1O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919511 |
