| SpectraBase Compound ID | LcvNN2fngt6 |
|---|---|
| InChI | InChI=1S/C21H31ClO4/c1-2-3-4-5-6-7-8-15-25-20(23)12-13-21(24)26-16-14-18-10-9-11-19(22)17-18/h9-11,17H,2-8,12-16H2,1H3 |
| InChIKey | VNWASHSWLQVMOS-UHFFFAOYSA-N |
| Mol Weight | 382.93 g/mol |
| Molecular Formula | C21H31ClO4 |
| Exact Mass | 382.191087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FZsxd4tXaic |
|---|---|
| Name | Succinic acid, 3-chlorophenethyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.191087174 u |
| Formula | C21H31ClO4 |
| InChI | InChI=1S/C21H31ClO4/c1-2-3-4-5-6-7-8-15-25-20(23)12-13-21(24)26-16-14-18-10-9-11-19(22)17-18/h9-11,17H,2-8,12-16H2,1H3 |
| InChIKey | VNWASHSWLQVMOS-UHFFFAOYSA-N |
| Molecular Weight | 382.928 g/mol |
| SMILES | C(CCC(OCCC1=CC(=CC=C1)Cl)=O)(OCCCCCCCCC)=O |