| SpectraBase Compound ID | EIaqal6TrQi |
|---|---|
| InChI | InChI=1S/C19H28O5/c1-7-19(8-2,17(20)23-12-13(3)4)18(21)24-16-11-14(5)9-10-15(16)22-6/h9-11,13H,7-8,12H2,1-6H3 |
| InChIKey | HUVJKAXULNGPED-UHFFFAOYSA-N |
| Mol Weight | 336.43 g/mol |
| Molecular Formula | C19H28O5 |
| Exact Mass | 336.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Ci6owfXtGX |
|---|---|
| Name | Diethylmalonic acid, isobutyl 5-methyl-2-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.193673997 u |
| Formula | C19H28O5 |
| InChI | InChI=1S/C19H28O5/c1-7-19(8-2,17(20)23-12-13(3)4)18(21)24-16-11-14(5)9-10-15(16)22-6/h9-11,13H,7-8,12H2,1-6H3 |
| InChIKey | HUVJKAXULNGPED-UHFFFAOYSA-N |
| Molecular Weight | 336.428 g/mol |
| SMILES | C(C(C(OCC(C)C)=O)(CC)CC)(OC=1C=C(C)C=CC1OC)=O |