| SpectraBase Compound ID | 4YK3yYeXhaa |
|---|---|
| InChI | InChI=1S/C16H22O5/c1-6-19-14(17)16(4,5)15(18)21-13-10-8-7-9-12(13)20-11(2)3/h7-11H,6H2,1-5H3 |
| InChIKey | QKPGUWLSJSQVEX-UHFFFAOYSA-N |
| Mol Weight | 294.35 g/mol |
| Molecular Formula | C16H22O5 |
| Exact Mass | 294.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2xn6q4S9WR5 |
|---|---|
| Name | Dimethylmalonic acid, ethyl 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.146723803 u |
| Formula | C16H22O5 |
| InChI | InChI=1S/C16H22O5/c1-6-19-14(17)16(4,5)15(18)21-13-10-8-7-9-12(13)20-11(2)3/h7-11H,6H2,1-5H3 |
| InChIKey | QKPGUWLSJSQVEX-UHFFFAOYSA-N |
| Molecular Weight | 294.347 g/mol |
| SMILES | CC(C)OC=1C(OC(=O)C(C)(C)C(OCC)=O)=CC=CC1 |