| SpectraBase Compound ID | DMfZG2jcji4 |
|---|---|
| InChI | InChI=1S/C11H16O/c1-4-11(2,3)9-7-5-6-8-10(9)12/h5-8,12H,4H2,1-3H3 |
| InChIKey | BGRKGHSKCFAPCL-UHFFFAOYSA-N |
| Mol Weight | 164.25 g/mol |
| Molecular Formula | C11H16O |
| Exact Mass | 164.120115 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BhtqYlCrhUU |
|---|---|
| Name | o-Tert-pentylphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.120115134 u |
| Formula | C11H16O |
| InChI | InChI=1S/C11H16O/c1-4-11(2,3)9-7-5-6-8-10(9)12/h5-8,12H,4H2,1-3H3 |
| InChIKey | BGRKGHSKCFAPCL-UHFFFAOYSA-N |
| Molecular Weight | 164.248 g/mol |
| SMILES | OC=1C(=CC=CC1)C(C)(C)CC |
| Spectrum/Structure Validation Score (Raman) | 0.872591 |