| SpectraBase Compound ID | 4BEF18MiXOb |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-3-4-5-9-12-17-15(16)13(2)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3 |
| InChIKey | LARAVRJCBZOBAA-UHFFFAOYSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5wytXP9KTG7 |
|---|---|
| Name | Hydratropic acid, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.161979946 u |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-3-4-5-9-12-17-15(16)13(2)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3 |
| InChIKey | LARAVRJCBZOBAA-UHFFFAOYSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C1=CC=CC(=C1)C(C(=O)OCCCCCC)C |