| SpectraBase Compound ID | spb03jQEkO |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-3-4-9-14(12-8-13-16(17)18-2)15-10-6-5-7-11-15/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3 |
| InChIKey | WAFCYXGFFOIKKH-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 | CzoBd0on0Qr |
|---|---|
| Name | Nonanoic acid, 5-phenyl-, methyl 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/c1-3-4-9-14(12-8-13-16(17)18-2)15-10-6-5-7-11-15/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3 |
| InChIKey | WAFCYXGFFOIKKH-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C(C(CCCC)C1=CC=CC=C1)CCC(OC)=O |