| SpectraBase Compound ID | Kh8JQ8d1PJ1 |
|---|---|
| InChI | InChI=1S/C16H17ClO5/c1-4-11(2)21-15(18)6-5-7-16(19)22-14-9-8-12(20-3)10-13(14)17/h1,8-11H,5-7H2,2-3H3 |
| InChIKey | SMMQHMAQVITPTA-UHFFFAOYSA-N |
| Mol Weight | 324.76 g/mol |
| Molecular Formula | C16H17ClO5 |
| Exact Mass | 324.076451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 18jsuiLTEwI |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 2-chloro-4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.076451342 u |
| Formula | C16H17ClO5 |
| InChI | InChI=1S/C16H17ClO5/c1-4-11(2)21-15(18)6-5-7-16(19)22-14-9-8-12(20-3)10-13(14)17/h1,8-11H,5-7H2,2-3H3 |
| InChIKey | SMMQHMAQVITPTA-UHFFFAOYSA-N |
| Molecular Weight | 324.760 g/mol |
| SMILES | C(CCCC(OC(C#C)C)=O)(OC1=CC=C(OC)C=C1Cl)=O |