| SpectraBase Compound ID | 1HiaMTIgP41 |
|---|---|
| InChI | InChI=1S/C15H16Cl2O4/c1-2-3-10-20-13(18)8-5-9-14(19)21-12-7-4-6-11(16)15(12)17/h2-4,6-7H,5,8-10H2,1H3/b3-2+ |
| InChIKey | FYFJOVRHLWPSHD-NSCUHMNNSA-N |
| Mol Weight | 331.2 g/mol |
| Molecular Formula | C15H16Cl2O4 |
| Exact Mass | 330.042564 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3D0CXXT77C5 |
|---|---|
| Name | Glutaric acid, 2,3-dichlorophenyl but-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.042564391 u |
| Formula | C15H16Cl2O4 |
| InChI | InChI=1S/C15H16Cl2O4/c1-2-3-10-20-13(18)8-5-9-14(19)21-12-7-4-6-11(16)15(12)17/h2-4,6-7H,5,8-10H2,1H3/b3-2+ |
| InChIKey | FYFJOVRHLWPSHD-NSCUHMNNSA-N |
| Molecular Weight | 331.195 g/mol |
| SMILES | C(CCC(OC1=C(C(=CC=C1)Cl)Cl)=O)C(OC\C=C\C)=O |