| SpectraBase Compound ID | D5aNpev7Ekf |
|---|---|
| InChI | InChI=1S/C18H25ClO4/c1-4-16(13(2)3)23-18(21)7-5-6-17(20)22-12-14-8-10-15(19)11-9-14/h8-11,13,16H,4-7,12H2,1-3H3 |
| InChIKey | FDMLNXASALJNCN-UHFFFAOYSA-N |
| Mol Weight | 340.85 g/mol |
| Molecular Formula | C18H25ClO4 |
| Exact Mass | 340.144137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1G2AHZIhsPp |
|---|---|
| Name | Glutaric acid, 2-methylpent-3-yl 4-chlorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.144136981 u |
| Formula | C18H25ClO4 |
| InChI | InChI=1S/C18H25ClO4/c1-4-16(13(2)3)23-18(21)7-5-6-17(20)22-12-14-8-10-15(19)11-9-14/h8-11,13,16H,4-7,12H2,1-3H3 |
| InChIKey | FDMLNXASALJNCN-UHFFFAOYSA-N |
| Molecular Weight | 340.847 g/mol |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OCC1=CC=C(C=C1)Cl)=O |