| SpectraBase Compound ID | 9puMVovgU78 |
|---|---|
| InChI | InChI=1S/C18H17ClO5/c1-22-15-8-2-3-9-16(15)24-18(21)11-5-10-17(20)23-14-7-4-6-13(19)12-14/h2-4,6-9,12H,5,10-11H2,1H3 |
| InChIKey | CXHYOVDNXYIHBH-UHFFFAOYSA-N |
| Mol Weight | 348.78 g/mol |
| Molecular Formula | C18H17ClO5 |
| Exact Mass | 348.076451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2gXEF3D70Y1 |
|---|---|
| Name | Glutaric acid, 3-chlorophenyl 2-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.076451342 u |
| Formula | C18H17ClO5 |
| InChI | InChI=1S/C18H17ClO5/c1-22-15-8-2-3-9-16(15)24-18(21)11-5-10-17(20)23-14-7-4-6-13(19)12-14/h2-4,6-9,12H,5,10-11H2,1H3 |
| InChIKey | CXHYOVDNXYIHBH-UHFFFAOYSA-N |
| Molecular Weight | 348.782 g/mol |
| SMILES | C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC1=CC=CC=C1OC)=O |