| SpectraBase Compound ID | 1HTdZaVNI3U |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-4-5-6-14-7-9-15(10-8-14)16(17)18-12-11-13(2)3/h7-10,13H,4-6,11-12H2,1-3H3 |
| InChIKey | XFLZSMLNZLATFX-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 | 5LyBhuHBsIY |
|---|---|
| Name | 4-Butylbenzoic acid, 3-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/c1-4-5-6-14-7-9-15(10-8-14)16(17)18-12-11-13(2)3/h7-10,13H,4-6,11-12H2,1-3H3 |
| InChIKey | XFLZSMLNZLATFX-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C1(=CC=C(C=C1)C(=O)OCCC(C)C)CCCC |