| SpectraBase Compound ID | 96huL0IZ5td |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c1-11(2)10-20-15(18)5-4-6-16(19)21-14-9-12(3)7-8-13(14)17/h7-9,11H,4-6,10H2,1-3H3 |
| InChIKey | HQNHUKBJUKXOQU-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 | D6pUVkcfPfX |
|---|---|
| Name | Glutaric acid, 2-chloro-5-methylphenyl 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/c1-11(2)10-20-15(18)5-4-6-16(19)21-14-9-12(3)7-8-13(14)17/h7-9,11H,4-6,10H2,1-3H3 |
| InChIKey | HQNHUKBJUKXOQU-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | C1(OC(=O)CCCC(=O)OCC(C)C)=C(C=CC(=C1)C)Cl |