| SpectraBase Compound ID | LO8Am6mV1Y5 |
|---|---|
| InChI | InChI=1S/C16H22O3/c1-3-5-7-12-14(16(18)19-4-2)15(17)13-10-8-6-9-11-13/h6,8-11,14H,3-5,7,12H2,1-2H3 |
| InChIKey | CUNKBQCXKNYWDN-UHFFFAOYSA-N |
| Mol Weight | 262.35 g/mol |
| Molecular Formula | C16H22O3 |
| Exact Mass | 262.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IiSPR9aBzpr |
|---|---|
| Name | Ethyl 2-benzoylheptanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.156894565 u |
| Formula | C16H22O3 |
| InChI | InChI=1S/C16H22O3/c1-3-5-7-12-14(16(18)19-4-2)15(17)13-10-8-6-9-11-13/h6,8-11,14H,3-5,7,12H2,1-2H3 |
| InChIKey | CUNKBQCXKNYWDN-UHFFFAOYSA-N |
| Molecular Weight | 262.349 g/mol |
| SMILES | C(CCCCC)(C(C=1C=CC=CC1)=O)C(OCC)=O |