| SpectraBase Compound ID | 6wuq7x92de0 |
|---|---|
| InChI | InChI=1S/C15H19ClO4/c1-3-4-9-19-14(17)7-8-15(18)20-13-6-5-11(2)10-12(13)16/h5-6,10H,3-4,7-9H2,1-2H3 |
| InChIKey | SFAOCNLRVPYIJT-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 | AiQWMd6fhJM |
|---|---|
| Name | Succinic acid, butyl 2-chloro-4-methylphenyl 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/c1-3-4-9-19-14(17)7-8-15(18)20-13-6-5-11(2)10-12(13)16/h5-6,10H,3-4,7-9H2,1-2H3 |
| InChIKey | SFAOCNLRVPYIJT-UHFFFAOYSA-N |
| SMILES | C(C(OC=1C(=CC(C)=CC1)Cl)=O)CC(OCCCC)=O |