| SpectraBase Compound ID | HbUIy6RWXm5 |
|---|---|
| InChI | InChI=1S/C15H15ClO4/c1-3-11(2)20-15(18)9-8-14(17)19-10-12-4-6-13(16)7-5-12/h1,4-7,11H,8-10H2,2H3 |
| InChIKey | HDKVGSNXPMVFCM-UHFFFAOYSA-N |
| Mol Weight | 294.73 g/mol |
| Molecular Formula | C15H15ClO4 |
| Exact Mass | 294.065887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JLbJ7akR9pw |
|---|---|
| Name | Succinic 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 | 294.065886659 u |
| Formula | C15H15ClO4 |
| InChI | InChI=1S/C15H15ClO4/c1-3-11(2)20-15(18)9-8-14(17)19-10-12-4-6-13(16)7-5-12/h1,4-7,11H,8-10H2,2H3 |
| InChIKey | HDKVGSNXPMVFCM-UHFFFAOYSA-N |
| Molecular Weight | 294.734 g/mol |
| SMILES | C(CC(OC(C#C)C)=O)C(OCC1=CC=C(C=C1)Cl)=O |