| SpectraBase Compound ID | EAvsSYKa3IJ |
|---|---|
| InChI | InChI=1S/C15H19ClO4/c1-11(2)9-19-14(17)6-7-15(18)20-10-12-4-3-5-13(16)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3 |
| InChIKey | NTXZMKLDPLZRSY-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 | 3RoM0Z7wOQk |
|---|---|
| Name | Succinic acid, 3-chlorobenzyl 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/c1-11(2)9-19-14(17)6-7-15(18)20-10-12-4-3-5-13(16)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3 |
| InChIKey | NTXZMKLDPLZRSY-UHFFFAOYSA-N |
| SMILES | C(CCC(OCC1=CC(=CC=C1)Cl)=O)(OCC(C)C)=O |