| SpectraBase Compound ID | GKV6h8hSkwx |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-5-8-12-22-16(19)18(6-2,7-3)17(20)23-15-11-9-10-14(13-15)21-4/h9-11,13H,5-8,12H2,1-4H3 |
| InChIKey | IAGDDNYENWZNOX-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 | 8diSjB8dx0a |
|---|---|
| Name | Diethylmalonic acid, butyl 3-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/c1-5-8-12-22-16(19)18(6-2,7-3)17(20)23-15-11-9-10-14(13-15)21-4/h9-11,13H,5-8,12H2,1-4H3 |
| InChIKey | IAGDDNYENWZNOX-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | C(C(C(OCCCC)=O)(CC)CC)(OC1=CC(OC)=CC=C1)=O |