| SpectraBase Compound ID | 95lqaY5UGWf |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c1-12(2)11-20-15(18)9-5-6-10-16(19)21-14-8-4-3-7-13(14)17/h3-4,7-8,12H,5-6,9-11H2,1-2H3 |
| InChIKey | AAJLTHJDAQYSKS-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 | u94Vjvgz0D |
|---|---|
| Name | Adipic acid, 2-chlorophenyl 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)11-20-15(18)9-5-6-10-16(19)21-14-8-4-3-7-13(14)17/h3-4,7-8,12H,5-6,9-11H2,1-2H3 |
| InChIKey | AAJLTHJDAQYSKS-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | C(CCCCC(=O)OC1=CC=CC=C1Cl)(OCC(C)C)=O |