| SpectraBase Compound ID | JKKVKBygzsH |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-6-18(7-2,16(19)22-12-13(3)4)17(20)23-15-10-8-14(21-5)9-11-15/h8-11,13H,6-7,12H2,1-5H3 |
| InChIKey | DWIIBEKUGVPIHM-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 | WuCJhhCpsJ |
|---|---|
| Name | Diethylmalonic acid, isobutyl 4-methoxyphenyl 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)22-12-13(3)4)17(20)23-15-10-8-14(21-5)9-11-15/h8-11,13H,6-7,12H2,1-5H3 |
| InChIKey | DWIIBEKUGVPIHM-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | CCC(C(OCC(C)C)=O)(C(OC1=CC=C(OC)C=C1)=O)CC |