| SpectraBase Compound ID | 4un8CfpcMzw |
|---|---|
| InChI | InChI=1S/C15H19ClO4/c1-10(2)9-19-14(17)6-7-15(18)20-13-5-4-11(3)8-12(13)16/h4-5,8,10H,6-7,9H2,1-3H3 |
| InChIKey | STKNQTFMPLNRQU-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 | 7gUoBBKeQ2T |
|---|---|
| Name | Succinic acid, 2-chloro-4-methylphenyl isobutyl 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/c1-10(2)9-19-14(17)6-7-15(18)20-13-5-4-11(3)8-12(13)16/h4-5,8,10H,6-7,9H2,1-3H3 |
| InChIKey | STKNQTFMPLNRQU-UHFFFAOYSA-N |
| SMILES | C(CC(OC=1C(=CC(C)=CC1)Cl)=O)C(OCC(C)C)=O |