| SpectraBase Compound ID | BOkNiMFK3jt |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-6-11-22-16(19)18(7-2,8-3)17(20)23-15-12-13(4)9-10-14(15)21-5/h9-10,12H,6-8,11H2,1-5H3 |
| InChIKey | RIDPWNKGBRKUIB-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 | L6RSHjB7X0x |
|---|---|
| Name | Diethylmalonic acid, 5-methyl-2-methoxyphenyl propyl 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/c1-6-11-22-16(19)18(7-2,8-3)17(20)23-15-12-13(4)9-10-14(15)21-5/h9-10,12H,6-8,11H2,1-5H3 |
| InChIKey | RIDPWNKGBRKUIB-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | C(C(C(OCCC)=O)(CC)CC)(OC=1C=C(C)C=CC1OC)=O |