| SpectraBase Compound ID | 1L0H12EVAVN |
|---|---|
| InChI | InChI=1S/C18H17ClO4/c1-13-6-2-3-9-16(13)23-18(21)11-5-10-17(20)22-15-8-4-7-14(19)12-15/h2-4,6-9,12H,5,10-11H2,1H3 |
| InChIKey | UWPYOYFNRTZRDU-UHFFFAOYSA-N |
| Mol Weight | 332.78 g/mol |
| Molecular Formula | C18H17ClO4 |
| Exact Mass | 332.081537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9O0rdaKbc1t |
|---|---|
| Name | Glutaric acid, 3-chlorophenyl 2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.081536723 u |
| Formula | C18H17ClO4 |
| InChI | InChI=1S/C18H17ClO4/c1-13-6-2-3-9-16(13)23-18(21)11-5-10-17(20)22-15-8-4-7-14(19)12-15/h2-4,6-9,12H,5,10-11H2,1H3 |
| InChIKey | UWPYOYFNRTZRDU-UHFFFAOYSA-N |
| Molecular Weight | 332.783 g/mol |
| SMILES | C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC=1C(C)=CC=CC1)=O |