| SpectraBase Compound ID | 80NPb1fJtHc |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-4-5-12(2)11-21-16(19)8-9-17(20)22-14-6-7-15(18)13(3)10-14/h6-7,10,12H,4-5,8-9,11H2,1-3H3 |
| InChIKey | UUSTVRZVFZZPNH-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 | HQQnrzTI2BO |
|---|---|
| Name | Succinic acid, 4-chloro-3-methylphenyl 2-methylpentyl 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/c1-4-5-12(2)11-21-16(19)8-9-17(20)22-14-6-7-15(18)13(3)10-14/h6-7,10,12H,4-5,8-9,11H2,1-3H3 |
| InChIKey | UUSTVRZVFZZPNH-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OCC(CCC)C)=O |