| SpectraBase Compound ID | CUG6zIqovHL |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-4-6-14-8-10-15(11-9-14)16(17)18-12-5-7-13(2)3/h8-11,13H,4-7,12H2,1-3H3 |
| InChIKey | FDADFBWPORNOJP-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 | 2fzD1lnILYe |
|---|---|
| Name | Benzoic acid, 4-propyl-, isohexyl 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/c1-4-6-14-8-10-15(11-9-14)16(17)18-12-5-7-13(2)3/h8-11,13H,4-7,12H2,1-3H3 |
| InChIKey | FDADFBWPORNOJP-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C(OCCCC(C)C)(=O)C1=CC=C(CCC)C=C1 |