| SpectraBase Compound ID | GGj9i4XCMyN |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c1-2-3-11-20-15(18)5-4-6-16(19)21-12-13-7-9-14(17)10-8-13/h7-10H,2-6,11-12H2,1H3 |
| InChIKey | GUKMPFZQQWBFSU-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 | 1tc9G3ZAjWT |
|---|---|
| Name | Glutaric acid, butyl 4-chlorobenzyl 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/c1-2-3-11-20-15(18)5-4-6-16(19)21-12-13-7-9-14(17)10-8-13/h7-10H,2-6,11-12H2,1H3 |
| InChIKey | GUKMPFZQQWBFSU-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | CCCCOC(CCCC(OCC1=CC=C(C=C1)Cl)=O)=O |