| SpectraBase Compound ID | FcTGjIVw60O |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c1-12(2)11-21-16(19)8-7-15(18)20-10-9-13-3-5-14(17)6-4-13/h3-6,12H,7-11H2,1-2H3 |
| InChIKey | RHUQVHKORJXOOG-UHFFFAOYSA-N |
| Mol Weight | 312.79 g/mol |
| Molecular Formula | C16H21ClO4 |
| Exact Mass | 312.112837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ETrYwdBLlJL |
|---|---|
| Name | Succinic acid, 4-chlorophenethyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.112836852 u |
| Formula | C16H21ClO4 |
| InChI | InChI=1S/C16H21ClO4/c1-12(2)11-21-16(19)8-7-15(18)20-10-9-13-3-5-14(17)6-4-13/h3-6,12H,7-11H2,1-2H3 |
| InChIKey | RHUQVHKORJXOOG-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | C(CCC(OCCC1=CC=C(C=C1)Cl)=O)(OCC(C)C)=O |