| SpectraBase Compound ID | B7iKFtQm7fW |
|---|---|
| InChI | InChI=1S/C21H31ClO4/c22-16-8-3-1-2-4-9-17-25-20(23)13-10-14-21(24)26-18-15-19-11-6-5-7-12-19/h5-7,11-12H,1-4,8-10,13-18H2 |
| InChIKey | LZNQPHLGZBEKCM-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 | EEFjGSqUlOq |
|---|---|
| Name | Glutaric acid, 8-chlorooctyl phenethyl 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/c22-16-8-3-1-2-4-9-17-25-20(23)13-10-14-21(24)26-18-15-19-11-6-5-7-12-19/h5-7,11-12H,1-4,8-10,13-18H2 |
| InChIKey | LZNQPHLGZBEKCM-UHFFFAOYSA-N |
| Molecular Weight | 382.928 g/mol |
| SMILES | C(CCC(OCCCCCCCCCl)=O)C(OCCC1=CC=CC=C1)=O |