| SpectraBase Compound ID | Qn5BavNoC7 |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c1-3-4-10-20-15(18)6-5-7-16(19)21-13-8-9-14(17)12(2)11-13/h8-9,11H,3-7,10H2,1-2H3 |
| InChIKey | XHDBQBGEYXPZDD-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 | G2wm3JlRjvp |
|---|---|
| Name | Glutaric acid, butyl 4-chloro-3-methylphenyl 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/c1-3-4-10-20-15(18)6-5-7-16(19)21-13-8-9-14(17)12(2)11-13/h8-9,11H,3-7,10H2,1-2H3 |
| InChIKey | XHDBQBGEYXPZDD-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | CCCCOC(CCCC(OC1=CC=C(C(=C1)C)Cl)=O)=O |