| SpectraBase Compound ID | 3RKpqKx8Dff |
|---|---|
| InChI | InChI=1S/C16H17ClO4/c1-3-12(2)21-16(19)6-4-5-15(18)20-11-13-7-9-14(17)10-8-13/h1,7-10,12H,4-6,11H2,2H3 |
| InChIKey | YIZRZEGAZRSTFD-UHFFFAOYSA-N |
| Mol Weight | 308.76 g/mol |
| Molecular Formula | C16H17ClO4 |
| Exact Mass | 308.081537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DkBBHV4jaIK |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 4-chlorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.081536723 u |
| Formula | C16H17ClO4 |
| InChI | InChI=1S/C16H17ClO4/c1-3-12(2)21-16(19)6-4-5-15(18)20-11-13-7-9-14(17)10-8-13/h1,7-10,12H,4-6,11H2,2H3 |
| InChIKey | YIZRZEGAZRSTFD-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C#C)C)=O)C(OCC1=CC=C(C=C1)Cl)=O |