| SpectraBase Compound ID | 8oRP5q1a0W5 |
|---|---|
| InChI | InChI=1S/C17H24O5/c1-6-17(7-2,15(18)21-8-3)16(19)22-14-11-12(4)9-10-13(14)20-5/h9-11H,6-8H2,1-5H3 |
| InChIKey | IBEKEZFZQDUJPW-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 | 9qnwVa83t4e |
|---|---|
| Name | Diethylmalonic acid, ethyl 5-methyl-2-methoxyphenyl 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/c1-6-17(7-2,15(18)21-8-3)16(19)22-14-11-12(4)9-10-13(14)20-5/h9-11H,6-8H2,1-5H3 |
| InChIKey | IBEKEZFZQDUJPW-UHFFFAOYSA-N |
| SMILES | C(C(C(OCC)=O)(CC)CC)(OC=1C=C(C)C=CC1OC)=O |