| SpectraBase Compound ID | 9Bnf8SAfW8F |
|---|---|
| InChI | InChI=1S/C16H22O3/c1-4-5-6-7-9-13(2)19-16(17)14-10-8-11-15(12-14)18-3/h7-13H,4-6H2,1-3H3/b9-7+ |
| InChIKey | ILFVQCDACZZNIV-VQHVLOKHSA-N |
| Mol Weight | 262.35 g/mol |
| Molecular Formula | C16H22O3 |
| Exact Mass | 262.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GHYtd9HG2Ew |
|---|---|
| Name | m-Anisic acid, oct-3-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.156894565 u |
| Formula | C16H22O3 |
| InChI | InChI=1S/C16H22O3/c1-4-5-6-7-9-13(2)19-16(17)14-10-8-11-15(12-14)18-3/h7-13H,4-6H2,1-3H3/b9-7+ |
| InChIKey | ILFVQCDACZZNIV-VQHVLOKHSA-N |
| Molecular Weight | 262.349 g/mol |
| SMILES | C(=O)(OC(\C=C\CCCC)C)C=1C=C(OC)C=CC1 |