| SpectraBase Spectrum ID |
7k1TygAZDTh |
| Name |
Phenol, 2,6-bis(1,1-dimethylpropyl)-4-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.214015521 u |
| Formula |
C17H28O |
| InChI |
InChI=1S/C17H28O/c1-8-16(4,5)13-10-12(3)11-14(15(13)18)17(6,7)9-2/h10-11,18H,8-9H2,1-7H3 |
| InChIKey |
SOASHAVJCWKTKL-UHFFFAOYSA-N |
| Molecular Weight |
248.410 g/mol |
| SMILES |
CC1=CC(C(C)(CC)C)=C(C(=C1)C(C)(CC)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897918 |
