| SpectraBase Compound ID | 4g5VWgBlynn |
|---|---|
| InChI | InChI=1S/C18H28O2/c1-2-3-4-5-6-7-11-16-20-18(19)15-14-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3 |
| InChIKey | DXMZVCRGYUBQST-UHFFFAOYSA-N |
| Mol Weight | 276.42 g/mol |
| Molecular Formula | C18H28O2 |
| Exact Mass | 276.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 72dQBAHveOJ |
|---|---|
| Name | 3-Phenylpropanoic acid, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.208930140 u |
| Formula | C18H28O2 |
| InChI | InChI=1S/C18H28O2/c1-2-3-4-5-6-7-11-16-20-18(19)15-14-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3 |
| InChIKey | DXMZVCRGYUBQST-UHFFFAOYSA-N |
| Molecular Weight | 276.420 g/mol |
| SMILES | C(COC(=O)CCC1=CC=CC=C1)CCCCCCC |