SpectraBase Compound ID | AOvnS3GzqPJ |
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InChI | InChI=1S/C11H16O/c1-3-9(4-2)10-7-5-6-8-11(10)12/h5-9,12H,3-4H2,1-2H3 |
InChIKey | NRJNURQNUNRQKZ-UHFFFAOYSA-N |
Mol Weight | 164.25 g/mol |
Molecular Formula | C11H16O |
Exact Mass | 164.120115 g/mol |
SpectraBase Spectrum ID | GPN5w7d87XD |
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Name | 2-(1-Ethylpropyl)phenol |
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/c1-3-9(4-2)10-7-5-6-8-11(10)12/h5-9,12H,3-4H2,1-2H3 |
InChIKey | NRJNURQNUNRQKZ-UHFFFAOYSA-N |
Molecular Weight | 164.248 g/mol |
SMILES | C=1(C(=CC=CC1)C(CC)CC)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935021 |