| SpectraBase Compound ID | 80JkwfzPq1 |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-3-5-8-14(4-2)21-16(19)10-11-17(20)22-15-9-6-7-13(18)12-15/h6-7,9,12,14H,3-5,8,10-11H2,1-2H3 |
| InChIKey | SSDAMTFCTOPZGN-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 | ICwbeKYWYhA |
|---|---|
| Name | Succinic acid, 3-chlorophenyl 3-heptyl 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/c1-3-5-8-14(4-2)21-16(19)10-11-17(20)22-15-9-6-7-13(18)12-15/h6-7,9,12,14H,3-5,8,10-11H2,1-2H3 |
| InChIKey | SSDAMTFCTOPZGN-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | C(CC(OC1=CC(=CC=C1)Cl)=O)C(OC(CCCC)CC)=O |