| SpectraBase Compound ID | Ke34H7Vdh0p |
|---|---|
| InChI | InChI=1S/C17H24O5/c1-6-11-20-15(18)17(4,5)16(19)22-14-10-8-7-9-13(14)21-12(2)3/h7-10,12H,6,11H2,1-5H3 |
| InChIKey | YQLZNIGRZGYMNG-UHFFFAOYSA-N |
| Mol Weight | 308.37 g/mol |
| Molecular Formula | C17H24O5 |
| Exact Mass | 308.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 38x3ujMpSmR |
|---|---|
| Name | Dimethylmalonic acid, 2-isopropoxyphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.162373868 u |
| Formula | C17H24O5 |
| InChI | InChI=1S/C17H24O5/c1-6-11-20-15(18)17(4,5)16(19)22-14-10-8-7-9-13(14)21-12(2)3/h7-10,12H,6,11H2,1-5H3 |
| InChIKey | YQLZNIGRZGYMNG-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C(=C1)OC(=O)C(C)(C)C(OCCC)=O)OC(C)C |