| SpectraBase Spectrum ID |
KdBcDxW8QhX |
| Name |
2,6-bis(1-Methylpentyl)phenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.229665585 u |
| Formula |
C18H30O |
| InChI |
InChI=1S/C18H30O/c1-5-7-10-14(3)16-12-9-13-17(18(16)19)15(4)11-8-6-2/h9,12-15,19H,5-8,10-11H2,1-4H3 |
| InChIKey |
KEQGHBGKFWPEDT-UHFFFAOYSA-N |
| Molecular Weight |
262.437 g/mol |
| SMILES |
C=1(C(=CC=CC1C(CCCC)C)C(CCCC)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957107 |
