| SpectraBase Compound ID | CT9VYzlMpgN |
|---|---|
| InChI | InChI=1S/C16H18Cl2O4/c1-2-3-4-11-21-14(19)9-6-10-15(20)22-13-8-5-7-12(17)16(13)18/h3-5,7-8H,2,6,9-11H2,1H3/b4-3+ |
| InChIKey | ZXSWSHJWYGYFFL-ONEGZZNKSA-N |
| Mol Weight | 345.22 g/mol |
| Molecular Formula | C16H18Cl2O4 |
| Exact Mass | 344.058214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A3yyVW3jadG |
|---|---|
| Name | Glutaric acid, pent-2-en-1-yl 2,3-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.058214456 u |
| Formula | C16H18Cl2O4 |
| InChI | InChI=1S/C16H18Cl2O4/c1-2-3-4-11-21-14(19)9-6-10-15(20)22-13-8-5-7-12(17)16(13)18/h3-5,7-8H,2,6,9-11H2,1H3/b4-3+ |
| InChIKey | ZXSWSHJWYGYFFL-ONEGZZNKSA-N |
| Molecular Weight | 345.222 g/mol |
| SMILES | C(CCC(OC1=C(C(=CC=C1)Cl)Cl)=O)C(OC\C=C\CC)=O |