| SpectraBase Compound ID | 6SM5ORr9Aaa |
|---|---|
| InChI | InChI=1S/C14H15ClO4/c1-2-3-9-18-13(16)7-8-14(17)19-12-6-4-5-11(15)10-12/h2-6,10H,7-9H2,1H3/b3-2+ |
| InChIKey | UFCQJKUWFCJQOX-NSCUHMNNSA-N |
| Mol Weight | 282.72 g/mol |
| Molecular Formula | C14H15ClO4 |
| Exact Mass | 282.065887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BGCzxlM2lcd |
|---|---|
| Name | Succinic acid, 3-chlorophenyl but-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.065886659 u |
| Formula | C14H15ClO4 |
| InChI | InChI=1S/C14H15ClO4/c1-2-3-9-18-13(16)7-8-14(17)19-12-6-4-5-11(15)10-12/h2-6,10H,7-9H2,1H3/b3-2+ |
| InChIKey | UFCQJKUWFCJQOX-NSCUHMNNSA-N |
| SMILES | C(CC(OC1=CC(=CC=C1)Cl)=O)C(OC\C=C\C)=O |