| SpectraBase Compound ID | 559JfYZceTR |
|---|---|
| InChI | InChI=1S/C19H19ClO4/c1-14-13-16(7-8-17(14)20)24-19(22)10-9-18(21)23-12-11-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3 |
| InChIKey | WAMXIEVOJKBZLQ-UHFFFAOYSA-N |
| Mol Weight | 346.81 g/mol |
| Molecular Formula | C19H19ClO4 |
| Exact Mass | 346.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7x8oP4TwWvg |
|---|---|
| Name | Succinic acid, 4-chloro-3-methylphenyl phenethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.097186788 u |
| Formula | C19H19ClO4 |
| InChI | InChI=1S/C19H19ClO4/c1-14-13-16(7-8-17(14)20)24-19(22)10-9-18(21)23-12-11-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3 |
| InChIKey | WAMXIEVOJKBZLQ-UHFFFAOYSA-N |
| Molecular Weight | 346.810 g/mol |
| SMILES | C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OCCC1=CC=CC=C1)=O |