| SpectraBase Compound ID | 7zClkVfJ08u |
|---|---|
| InChI | InChI=1S/C18H25ClO4/c1-3-4-7-12-22-17(20)8-5-6-9-18(21)23-16-13-14(2)10-11-15(16)19/h10-11,13H,3-9,12H2,1-2H3 |
| InChIKey | NPQHSTGDQYLGNV-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 | 3V5wMICAAk6 |
|---|---|
| Name | Adipic acid, 2-chloro-5-methylphenyl pentyl 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/c1-3-4-7-12-22-17(20)8-5-6-9-18(21)23-16-13-14(2)10-11-15(16)19/h10-11,13H,3-9,12H2,1-2H3 |
| InChIKey | NPQHSTGDQYLGNV-UHFFFAOYSA-N |
| Molecular Weight | 340.847 g/mol |
| SMILES | C(CCCC(OC1=CC(C)=CC=C1Cl)=O)C(OCCCCC)=O |