| SpectraBase Compound ID | KnlOccuiWbk |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-16-14(15)12-8-3-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,2-3,5,8-9,12H2,1H3 |
| InChIKey | FZSNATXOGRAOIL-UHFFFAOYSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C14H20O2 |
| Exact Mass | 220.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GtG0eNMFYje |
|---|---|
| Name | Methyl 7-phenylheptanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.146329882 u |
| Formula | C14H20O2 |
| InChI | InChI=1S/C14H20O2/c1-16-14(15)12-8-3-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,2-3,5,8-9,12H2,1H3 |
| InChIKey | FZSNATXOGRAOIL-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C=1C(=CC=CC1)CCCCCCC(OC)=O |