| SpectraBase Compound ID | C4ALpNCrD3M |
|---|---|
| InChI | InChI=1S/C17H26O2/c1-4-5-6-7-8-9-13-17(18)19-16-12-10-11-14(2)15(16)3/h10-12H,4-9,13H2,1-3H3 |
| InChIKey | QCWAARQRPVKNFR-UHFFFAOYSA-N |
| Mol Weight | 262.39 g/mol |
| Molecular Formula | C17H26O2 |
| Exact Mass | 262.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IqyPd30S74T |
|---|---|
| Name | Nonanoic acid, 2,3-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.193280075 u |
| Formula | C17H26O2 |
| InChI | InChI=1S/C17H26O2/c1-4-5-6-7-8-9-13-17(18)19-16-12-10-11-14(2)15(16)3/h10-12H,4-9,13H2,1-3H3 |
| InChIKey | QCWAARQRPVKNFR-UHFFFAOYSA-N |
| Molecular Weight | 262.393 g/mol |
| SMILES | CC1=CC=CC(=C1C)OC(CCCCCCCC)=O |