| SpectraBase Compound ID | 1kSiD4f2lHM |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-3-5-6-7-8-13-18-16(17)15-11-9-14(4-2)10-12-15/h9-12H,3-8,13H2,1-2H3 |
| InChIKey | KIXHMWSRVRBCBX-UHFFFAOYSA-N |
| Mol Weight | 248.37 g/mol |
| Molecular Formula | C16H24O2 |
| Exact Mass | 248.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ByGY5LWMhJL |
|---|---|
| Name | 4-Ethylbenzoic acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.177630011 u |
| Formula | C16H24O2 |
| InChI | InChI=1S/C16H24O2/c1-3-5-6-7-8-13-18-16(17)15-11-9-14(4-2)10-12-15/h9-12H,3-8,13H2,1-2H3 |
| InChIKey | KIXHMWSRVRBCBX-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C(=O)(OCCCCCCC)C1=CC=C(CC)C=C1 |