| SpectraBase Compound ID | HVnoL4bfdeg |
|---|---|
| InChI | InChI=1S/C13H13ClO2/c1-3-7-10(4-2)16-13(15)11-8-5-6-9-12(11)14/h5-6,8-10H,4H2,1-2H3 |
| InChIKey | KNDBMTMCFPSMSH-UHFFFAOYSA-N |
| Mol Weight | 236.7 g/mol |
| Molecular Formula | C13H13ClO2 |
| Exact Mass | 236.060407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2L0LIi5yxa3 |
|---|---|
| Name | 2-Chlorobenzoic acid, hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.060407357 u |
| Formula | C13H13ClO2 |
| InChI | InChI=1S/C13H13ClO2/c1-3-7-10(4-2)16-13(15)11-8-5-6-9-12(11)14/h5-6,8-10H,4H2,1-2H3 |
| InChIKey | KNDBMTMCFPSMSH-UHFFFAOYSA-N |
| Molecular Weight | 236.698 g/mol |
| SMILES | C1=CC=CC(=C1Cl)C(OC(CC)C#CC)=O |