| SpectraBase Compound ID | 8gNBgY1Z4QJ |
|---|---|
| InChI | InChI=1S/C18H25ClO4/c1-3-4-5-6-12-22-17(20)8-7-9-18(21)23-16-13-14(2)10-11-15(16)19/h10-11,13H,3-9,12H2,1-2H3 |
| InChIKey | RKRSPJYKZCDOMB-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 | LTisHNx53fk |
|---|---|
| Name | Glutaric acid, 2-chloro-5-methylphenyl hexyl 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/c1-3-4-5-6-12-22-17(20)8-7-9-18(21)23-16-13-14(2)10-11-15(16)19/h10-11,13H,3-9,12H2,1-2H3 |
| InChIKey | RKRSPJYKZCDOMB-UHFFFAOYSA-N |
| Molecular Weight | 340.847 g/mol |
| SMILES | C1(OC(=O)CCCC(OCCCCCC)=O)=C(C=CC(=C1)C)Cl |