| SpectraBase Compound ID | 5HiLDJsDHZZ |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c1-4-16(5-2,14(18)20-6-3)15(19)21-11-12-7-9-13(17)10-8-12/h7-10H,4-6,11H2,1-3H3 |
| InChIKey | GBYJIXOOZLRTES-UHFFFAOYSA-N |
| Mol Weight | 312.79 g/mol |
| Molecular Formula | C16H21ClO4 |
| Exact Mass | 312.112837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8aRGY3gLr4h |
|---|---|
| Name | Diethylmalonic acid, 4-chlorobenzyl ethyl 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/c1-4-16(5-2,14(18)20-6-3)15(19)21-11-12-7-9-13(17)10-8-12/h7-10H,4-6,11H2,1-3H3 |
| InChIKey | GBYJIXOOZLRTES-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | CCC(C(OCC)=O)(C(OCC1=CC=C(C=C1)Cl)=O)CC |