| SpectraBase Compound ID | 3Tn93Bap9td |
|---|---|
| InChI | InChI=1S/C19H27ClO2/c1-2-3-4-5-6-7-8-9-10-15-22-19(21)16-17-11-13-18(20)14-12-17/h9-14H,2-8,15-16H2,1H3/b10-9+ |
| InChIKey | XCNFLAOJPRZLSG-MDZDMXLPSA-N |
| Mol Weight | 322.88 g/mol |
| Molecular Formula | C19H27ClO2 |
| Exact Mass | 322.169958 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5MtNsaa6ghQ |
|---|---|
| Name | Benzeneacetic acid, 4-chloro-, undec-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.169957807 u |
| Formula | C19H27ClO2 |
| InChI | InChI=1S/C19H27ClO2/c1-2-3-4-5-6-7-8-9-10-15-22-19(21)16-17-11-13-18(20)14-12-17/h9-14H,2-8,15-16H2,1H3/b10-9+ |
| InChIKey | XCNFLAOJPRZLSG-MDZDMXLPSA-N |
| Molecular Weight | 322.876 g/mol |
| SMILES | C(OC\C=C\CCCCCCCC)(CC=1C=CC(=CC1)Cl)=O |