| SpectraBase Compound ID | AuNttgNZK7P |
|---|---|
| InChI | InChI=1S/C16H18Cl2O4/c1-11(2)6-7-21-15(19)4-3-5-16(20)22-14-9-12(17)8-13(18)10-14/h6,8-10H,3-5,7H2,1-2H3 |
| InChIKey | CFLHZUNUOIEQDA-UHFFFAOYSA-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 | D8HxLgivri |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-en-1-yl 3,5-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/c1-11(2)6-7-21-15(19)4-3-5-16(20)22-14-9-12(17)8-13(18)10-14/h6,8-10H,3-5,7H2,1-2H3 |
| InChIKey | CFLHZUNUOIEQDA-UHFFFAOYSA-N |
| Molecular Weight | 345.222 g/mol |
| SMILES | C(CCC(OCC=C(C)C)=O)C(OC1=CC(=CC(=C1)Cl)Cl)=O |