| SpectraBase Compound ID | LIEc1QPTRLR |
|---|---|
| InChI | InChI=1S/C17H19ClO2/c1-12(2)5-10-16(11-13(3)4)20-17(19)14-6-8-15(18)9-7-14/h6-9,13,16H,1,11H2,2-4H3 |
| InChIKey | COCOCAKCCLBCEG-UHFFFAOYSA-N |
| Mol Weight | 290.79 g/mol |
| Molecular Formula | C17H19ClO2 |
| Exact Mass | 290.107358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4u7a01Wb4Q2 |
|---|---|
| Name | 4-Chlorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.107357550 u |
| Formula | C17H19ClO2 |
| InChI | InChI=1S/C17H19ClO2/c1-12(2)5-10-16(11-13(3)4)20-17(19)14-6-8-15(18)9-7-14/h6-9,13,16H,1,11H2,2-4H3 |
| InChIKey | COCOCAKCCLBCEG-UHFFFAOYSA-N |
| Molecular Weight | 290.790 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OC(CC(C)C)C#CC(=C)C)=O)Cl |