| SpectraBase Compound ID | BkqxK7CCX5v |
|---|---|
| InChI | InChI=1S/C13H18O/c1-3-4-5-8-12-9-6-7-10-13(12)11(2)14/h6-7,9-10H,3-5,8H2,1-2H3 |
| InChIKey | LXAUWLQUPWIWGX-UHFFFAOYSA-N |
| Mol Weight | 190.29 g/mol |
| Molecular Formula | C13H18O |
| Exact Mass | 190.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5H0OcyQgCOv |
|---|---|
| Name | 1-(2-Pentylphenyl)ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.135765199 u |
| Formula | C13H18O |
| InChI | InChI=1S/C13H18O/c1-3-4-5-8-12-9-6-7-10-13(12)11(2)14/h6-7,9-10H,3-5,8H2,1-2H3 |
| InChIKey | LXAUWLQUPWIWGX-UHFFFAOYSA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | C(C)(C=1C(=CC=CC1)CCCCC)=O |