| SpectraBase Compound ID | BexCy4c17AF |
|---|---|
| InChI | InChI=1S/C15H19ClO4/c1-2-19-14(17)4-3-5-15(18)20-11-10-12-6-8-13(16)9-7-12/h6-9H,2-5,10-11H2,1H3 |
| InChIKey | PGBOGSJDIIGIEW-UHFFFAOYSA-N |
| Mol Weight | 298.77 g/mol |
| Molecular Formula | C15H19ClO4 |
| Exact Mass | 298.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F3bSFfAiOnz |
|---|---|
| Name | Glutaric acid, 2-(4-chlorophenyl)ethyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.097186788 u |
| Formula | C15H19ClO4 |
| InChI | InChI=1S/C15H19ClO4/c1-2-19-14(17)4-3-5-15(18)20-11-10-12-6-8-13(16)9-7-12/h6-9H,2-5,10-11H2,1H3 |
| InChIKey | PGBOGSJDIIGIEW-UHFFFAOYSA-N |
| SMILES | C(OCCC1=CC=C(C=C1)Cl)(=O)CCCC(OCC)=O |