| SpectraBase Spectrum ID |
3WbbAhEktnH |
| Name |
1-Octanone, 1-(2,5-dihydroxy-3-propylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.188194694 u |
| Formula |
C17H26O3 |
| InChI |
InChI=1S/C17H26O3/c1-3-5-6-7-8-10-16(19)15-12-14(18)11-13(9-4-2)17(15)20/h11-12,18,20H,3-10H2,1-2H3 |
| InChIKey |
IBTZPYWKVVKVIB-UHFFFAOYSA-N |
| Molecular Weight |
278.392 g/mol |
| SMILES |
CCCCCCCC(=O)C1=CC(O)=CC(=C1O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963004 |
