| SpectraBase Compound ID | 2yoqt32Uld |
|---|---|
| InChI | InChI=1S/C18H22O3/c1-14(2)7-6-8-15(3)11-12-21-18(20)17-10-5-4-9-16(17)13-19/h4-5,7,9-11,13H,6,8,12H2,1-3H3/b15-11+ |
| InChIKey | QGRFNRICTDGXEQ-RVDMUPIBSA-N |
| Mol Weight | 286.37 g/mol |
| Molecular Formula | C18H22O3 |
| Exact Mass | 286.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Je9F370OJnU |
|---|---|
| Name | (2E)-3,7-Dimethylocta-2,6-dienyl 2-formylbenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.156894565 u |
| Formula | C18H22O3 |
| InChI | InChI=1S/C18H22O3/c1-14(2)7-6-8-15(3)11-12-21-18(20)17-10-5-4-9-16(17)13-19/h4-5,7,9-11,13H,6,8,12H2,1-3H3/b15-11+ |
| InChIKey | QGRFNRICTDGXEQ-RVDMUPIBSA-N |
| SMILES | C(C=1C(=CC=CC1)C=O)(=O)OC\C=C\(CCC=C(C)C)C |