| SpectraBase Compound ID | 8Hsvf7DHbNG |
|---|---|
| InChI | InChI=1S/C21H31ClO4/c1-2-3-4-5-6-7-16-25-20(23)9-8-10-21(24)26-17-15-18-11-13-19(22)14-12-18/h11-14H,2-10,15-17H2,1H3 |
| InChIKey | PRIYARRZPWPBKK-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 | DCgwXIT6EGU |
|---|---|
| Name | Glutaric acid, 2-(4-chlorophenyl)ethyl octyl 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/c1-2-3-4-5-6-7-16-25-20(23)9-8-10-21(24)26-17-15-18-11-13-19(22)14-12-18/h11-14H,2-10,15-17H2,1H3 |
| InChIKey | PRIYARRZPWPBKK-UHFFFAOYSA-N |
| Molecular Weight | 382.928 g/mol |
| SMILES | C(OCCC1=CC=C(C=C1)Cl)(=O)CCCC(OCCCCCCCC)=O |