| SpectraBase Compound ID | LwrhKr58l7h |
|---|---|
| InChI | InChI=1S/C22H33ClO4/c23-17-8-3-1-2-4-9-18-26-21(24)15-10-16-22(25)27-19-11-14-20-12-6-5-7-13-20/h5-7,12-13H,1-4,8-11,14-19H2 |
| InChIKey | RHZFTOHMWLVXAS-UHFFFAOYSA-N |
| Mol Weight | 397.0 g/mol |
| Molecular Formula | C22H33ClO4 |
| Exact Mass | 396.206737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9G3TRyM7x4O |
|---|---|
| Name | Glutaric acid, 8-chlorooctyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.206737239 u |
| Formula | C22H33ClO4 |
| InChI | InChI=1S/C22H33ClO4/c23-17-8-3-1-2-4-9-18-26-21(24)15-10-16-22(25)27-19-11-14-20-12-6-5-7-13-20/h5-7,12-13H,1-4,8-11,14-19H2 |
| InChIKey | RHZFTOHMWLVXAS-UHFFFAOYSA-N |
| Molecular Weight | 396.955 g/mol |
| SMILES | C(CCC(OCCCCCCCCCl)=O)C(OCCCC1=CC=CC=C1)=O |