| SpectraBase Compound ID | 8fmnYg24el1 |
|---|---|
| InChI | InChI=1S/C11H16O/c1-3-6-9(2)10-7-4-5-8-11(10)12/h4-5,7-9,12H,3,6H2,1-2H3 |
| InChIKey | ROMXEVFSCNLHAB-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 | 7i1TVxSiyWI |
|---|---|
| Name | o-sec-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/c1-3-6-9(2)10-7-4-5-8-11(10)12/h4-5,7-9,12H,3,6H2,1-2H3 |
| InChIKey | ROMXEVFSCNLHAB-UHFFFAOYSA-N |
| Molecular Weight | 164.248 g/mol |
| SMILES | OC=1C(=CC=CC1)C(CCC)C |
| Spectrum/Structure Validation Score (Raman) | 0.975935 |