| SpectraBase Compound ID | GPnlSCCzWX0 |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-7-20(8-2,18(21)23-13-14(3)4)19(22)24-17-12-10-9-11-16(17)15(5)6/h9-12,14-15H,7-8,13H2,1-6H3 |
| InChIKey | GLKANZDRYSXARQ-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lmuly9Wv94k |
|---|---|
| Name | Diethylmalonic acid, isobutyl 2-isopropylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-7-20(8-2,18(21)23-13-14(3)4)19(22)24-17-12-10-9-11-16(17)15(5)6/h9-12,14-15H,7-8,13H2,1-6H3 |
| InChIKey | GLKANZDRYSXARQ-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | CCC(C(OCC(C)C)=O)(C(OC1=C(C=CC=C1)C(C)C)=O)CC |