| SpectraBase Compound ID | G1MpZv54EqO |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-12(2)11-21-16(19)6-4-5-7-17(20)22-15-10-13(3)8-9-14(15)18/h8-10,12H,4-7,11H2,1-3H3 |
| InChIKey | PRIYAETYHQFLRD-UHFFFAOYSA-N |
| Mol Weight | 326.82 g/mol |
| Molecular Formula | C17H23ClO4 |
| Exact Mass | 326.128487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KlO3NeFzGMR |
|---|---|
| Name | Adipic acid, 2-chloro-5-methylphenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.128486917 u |
| Formula | C17H23ClO4 |
| InChI | InChI=1S/C17H23ClO4/c1-12(2)11-21-16(19)6-4-5-7-17(20)22-15-10-13(3)8-9-14(15)18/h8-10,12H,4-7,11H2,1-3H3 |
| InChIKey | PRIYAETYHQFLRD-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | C(CCCC(OC1=CC(C)=CC=C1Cl)=O)C(OCC(C)C)=O |