| SpectraBase Compound ID | AAcLDVIN591 |
|---|---|
| InChI | InChI=1S/C17H24O5/c1-5-12-21-15(18)17(6-2,7-3)16(19)22-14-11-9-8-10-13(14)20-4/h8-11H,5-7,12H2,1-4H3 |
| InChIKey | NQQAKZLSAVDUJR-UHFFFAOYSA-N |
| Mol Weight | 308.37 g/mol |
| Molecular Formula | C17H24O5 |
| Exact Mass | 308.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | TdqSWlSpGM |
|---|---|
| Name | Diethylmalonic acid, 2-methoxyphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.162373868 u |
| Formula | C17H24O5 |
| InChI | InChI=1S/C17H24O5/c1-5-12-21-15(18)17(6-2,7-3)16(19)22-14-11-9-8-10-13(14)20-4/h8-11H,5-7,12H2,1-4H3 |
| InChIKey | NQQAKZLSAVDUJR-UHFFFAOYSA-N |
| SMILES | CCC(C(OCCC)=O)(C(OC1=CC=CC=C1OC)=O)CC |