| SpectraBase Compound ID | DJ7VPcvfmsK |
|---|---|
| InChI | InChI=1S/C17H21ClO2/c1-13(2)6-4-7-14(3)10-11-20-17(19)15-8-5-9-16(18)12-15/h5-6,8-10,12H,4,7,11H2,1-3H3/b14-10+ |
| InChIKey | VUXSSOYVTOHQSM-GXDHUFHOSA-N |
| Mol Weight | 292.81 g/mol |
| Molecular Formula | C17H21ClO2 |
| Exact Mass | 292.123008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6N9f30vsf5T |
|---|---|
| Name | (E)-3,7-Dimethylocta-2,6-dienyl 3-chlorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.123007614 u |
| Formula | C17H21ClO2 |
| InChI | InChI=1S/C17H21ClO2/c1-13(2)6-4-7-14(3)10-11-20-17(19)15-8-5-9-16(18)12-15/h5-6,8-10,12H,4,7,11H2,1-3H3/b14-10+ |
| InChIKey | VUXSSOYVTOHQSM-GXDHUFHOSA-N |
| Molecular Weight | 292.806 g/mol |
| SMILES | CC(=CCC\C(=C\COC(=O)C1=CC(=CC=C1)Cl)C)C |