| SpectraBase Compound ID | 4Q5gFWk9X9D |
|---|---|
| InChI | InChI=1S/C16H19ClO4/c1-2-3-4-11-20-15(18)9-6-10-16(19)21-14-8-5-7-13(17)12-14/h3-5,7-8,12H,2,6,9-11H2,1H3/b4-3+ |
| InChIKey | QTKNPHHZRXKWQZ-ONEGZZNKSA-N |
| Mol Weight | 310.78 g/mol |
| Molecular Formula | C16H19ClO4 |
| Exact Mass | 310.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D8Z8M0XCTM6 |
|---|---|
| Name | Glutaric acid, pent-2-en-1-yl 3-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.097186788 u |
| Formula | C16H19ClO4 |
| InChI | InChI=1S/C16H19ClO4/c1-2-3-4-11-20-15(18)9-6-10-16(19)21-14-8-5-7-13(17)12-14/h3-5,7-8,12H,2,6,9-11H2,1H3/b4-3+ |
| InChIKey | QTKNPHHZRXKWQZ-ONEGZZNKSA-N |
| Molecular Weight | 310.777 g/mol |
| SMILES | C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC\C=C\CC)=O |