| SpectraBase Compound ID | 9hAYB0Y3L1Y |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-3-6-14(7-4-2)21-16(19)10-11-17(20)22-15-9-5-8-13(18)12-15/h5,8-9,12,14H,3-4,6-7,10-11H2,1-2H3 |
| InChIKey | ZRXRSJFRZRHJCL-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 | IOB1iHg50Qt |
|---|---|
| Name | Succinic acid, 3-chlorophenyl 4-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/c1-3-6-14(7-4-2)21-16(19)10-11-17(20)22-15-9-5-8-13(18)12-15/h5,8-9,12,14H,3-4,6-7,10-11H2,1-2H3 |
| InChIKey | ZRXRSJFRZRHJCL-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | C(CC(OC1=CC(=CC=C1)Cl)=O)C(OC(CCC)CCC)=O |