| SpectraBase Compound ID | 8ayJtmvC06S |
|---|---|
| InChI | InChI=1S/C17H26O3/c1-3-4-5-6-7-8-9-13-20-17(18)15-11-10-12-16(14-15)19-2/h10-12,14H,3-9,13H2,1-2H3 |
| InChIKey | JGZASOMUZAPRAP-UHFFFAOYSA-N |
| Mol Weight | 278.39 g/mol |
| Molecular Formula | C17H26O3 |
| Exact Mass | 278.188195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16FjQNpDFyN |
|---|---|
| Name | Benzoic acid, 3-methoxy-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.188194694 u |
| Formula | C17H26O3 |
| InChI | InChI=1S/C17H26O3/c1-3-4-5-6-7-8-9-13-20-17(18)15-11-10-12-16(14-15)19-2/h10-12,14H,3-9,13H2,1-2H3 |
| InChIKey | JGZASOMUZAPRAP-UHFFFAOYSA-N |
| Molecular Weight | 278.392 g/mol |
| SMILES | C(OCCCCCCCCC)(=O)C1=CC(OC)=CC=C1 |