| SpectraBase Compound ID | LlihxEWPa0B |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-2-3-4-8-14-18-16(17)13-9-12-15-10-6-5-7-11-15/h5-7,10-11H,2-4,8-9,12-14H2,1H3 |
| InChIKey | CPNQUHHVPGMQOC-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 | CYngGAK1ezV |
|---|---|
| Name | Butyric acid, 4-phenyl-, hexyl 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/c1-2-3-4-8-14-18-16(17)13-9-12-15-10-6-5-7-11-15/h5-7,10-11H,2-4,8-9,12-14H2,1H3 |
| InChIKey | CPNQUHHVPGMQOC-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C(CCCC=1C=CC=CC1)(OCCCCCC)=O |