| SpectraBase Spectrum ID |
5mTF2ZqUqwK |
| Name |
1-[4-(2-Hydroxy-3,3-dimethylbutyl)phenyl]-3-pentanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.208930140 u |
| Formula |
C17H28O2 |
| InChI |
InChI=1S/C17H28O2/c1-5-15(18)11-10-13-6-8-14(9-7-13)12-16(19)17(2,3)4/h6-9,15-16,18-19H,5,10-12H2,1-4H3 |
| InChIKey |
JRROAOAOMHEYPS-UHFFFAOYSA-N |
| Molecular Weight |
264.409 g/mol |
| SMILES |
C(C(CC=1C=CC(=CC1)CCC(O)CC)O)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84691 |
![1-[4-(2-Hydroxy-3,3-dimethylbutyl)phenyl]-3-pentanol](/api/spectrum/5mTF2ZqUqwK/structure.png?h=300&w=458 "1-[4-(2-Hydroxy-3,3-dimethylbutyl)phenyl]-3-pentanol")
