| SpectraBase Compound ID | T9lQIqopf2 |
|---|---|
| InChI | InChI=1S/C16H26O/c1-5-7-12(3)14-9-10-16(17)15(11-14)13(4)8-6-2/h9-13,17H,5-8H2,1-4H3 |
| InChIKey | QEVQVYGCTVKSER-UHFFFAOYSA-N |
| Mol Weight | 234.38 g/mol |
| Molecular Formula | C16H26O |
| Exact Mass | 234.198365 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9OXctY2zhD |
|---|---|
| Name | 2,4-bis(1-Methylbutyl)phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.198365456 u |
| Formula | C16H26O |
| InChI | InChI=1S/C16H26O/c1-5-7-12(3)14-9-10-16(17)15(11-14)13(4)8-6-2/h9-13,17H,5-8H2,1-4H3 |
| InChIKey | QEVQVYGCTVKSER-UHFFFAOYSA-N |
| Molecular Weight | 234.383 g/mol |
| SMILES | OC1=CC=C(C=C1C(CCC)C)C(CCC)C |
| Spectrum/Structure Validation Score (Raman) | 0.9554 |