| SpectraBase Compound ID | JS73Mf1zVum |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-4-6-7-14-8-10-15(11-9-14)16(17)18-12-13(3)5-2/h8-11,13H,4-7,12H2,1-3H3 |
| InChIKey | CJPYRVJBTVWZQD-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 | 5uM7Gs8j7YO |
|---|---|
| Name | 4-Butylbenzoic acid, 2-methylbutyl 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/c1-4-6-7-14-8-10-15(11-9-14)16(17)18-12-13(3)5-2/h8-11,13H,4-7,12H2,1-3H3 |
| InChIKey | CJPYRVJBTVWZQD-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C(C1=CC=C(C=C1)CCCC)(OCC(CC)C)=O |