| SpectraBase Compound ID | 4bptjKdNlqO |
|---|---|
| InChI | InChI=1S/C16H22O2/c1-4-5-6-7-10-14(3)18-16(17)15-11-8-9-13(2)12-15/h7-12,14H,4-6H2,1-3H3/b10-7+ |
| InChIKey | LZHUDNPJQUBRGF-JXMROGBWSA-N |
| Mol Weight | 246.35 g/mol |
| Molecular Formula | C16H22O2 |
| Exact Mass | 246.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ABNZGfXz7Ob |
|---|---|
| Name | m-Toluic 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 | 246.161979946 u |
| Formula | C16H22O2 |
| InChI | InChI=1S/C16H22O2/c1-4-5-6-7-10-14(3)18-16(17)15-11-8-9-13(2)12-15/h7-12,14H,4-6H2,1-3H3/b10-7+ |
| InChIKey | LZHUDNPJQUBRGF-JXMROGBWSA-N |
| Molecular Weight | 246.350 g/mol |
| SMILES | C(=O)(OC(\C=C\CCCC)C)C1=CC(C)=CC=C1 |