| SpectraBase Compound ID | 2tCQAb6tFq7 |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c1-4-11-20-14(18)16(5-2,6-3)15(19)21-13-10-8-7-9-12(13)17/h7-10H,4-6,11H2,1-3H3 |
| InChIKey | NHGYTQNAPZFWFZ-UHFFFAOYSA-N |
| Mol Weight | 312.79 g/mol |
| Molecular Formula | C16H21ClO4 |
| Exact Mass | 312.112837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5zWzTM6bnn |
|---|---|
| Name | Diethylmalonic acid, 2-chlorophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.112836852 u |
| Formula | C16H21ClO4 |
| InChI | InChI=1S/C16H21ClO4/c1-4-11-20-14(18)16(5-2,6-3)15(19)21-13-10-8-7-9-12(13)17/h7-10H,4-6,11H2,1-3H3 |
| InChIKey | NHGYTQNAPZFWFZ-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | CCC(C(OCCC)=O)(C(OC=1C(=CC=CC1)Cl)=O)CC |