| SpectraBase Compound ID | Lby9Akk65Vv |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-6-18(7-2,16(19)21-8-3)17(20)23-15-12-10-9-11-14(15)22-13(4)5/h9-13H,6-8H2,1-5H3 |
| InChIKey | RMAZEWAEYVIFNS-UHFFFAOYSA-N |
| Mol Weight | 322.4 g/mol |
| Molecular Formula | C18H26O5 |
| Exact Mass | 322.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5lEQO3tfdUQ |
|---|---|
| Name | Diethylmalonic acid, ethyl 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.178023932 u |
| Formula | C18H26O5 |
| InChI | InChI=1S/C18H26O5/c1-6-18(7-2,16(19)21-8-3)17(20)23-15-12-10-9-11-14(15)22-13(4)5/h9-13H,6-8H2,1-5H3 |
| InChIKey | RMAZEWAEYVIFNS-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | CCC(C(OCC)=O)(C(OC=1C(OC(C)C)=CC=CC1)=O)CC |