| SpectraBase Compound ID | FkzfRfofM5 |
|---|---|
| InChI | InChI=1S/C17H22O6/c1-4-22-15(19)17(14(18)21-3,16(20)23-5-2)12-11-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3 |
| InChIKey | KTELPIOPNNLHPJ-UHFFFAOYSA-N |
| Mol Weight | 322.36 g/mol |
| Molecular Formula | C17H22O6 |
| Exact Mass | 322.141638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CkShu0IhTDg |
|---|---|
| Name | Methyl 4-phenyl-2,2-bis(ethoxycarbonyl)-butanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.141638422 u |
| Formula | C17H22O6 |
| InChI | InChI=1S/C17H22O6/c1-4-22-15(19)17(14(18)21-3,16(20)23-5-2)12-11-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3 |
| InChIKey | KTELPIOPNNLHPJ-UHFFFAOYSA-N |
| Molecular Weight | 322.357 g/mol |
| SMILES | C(C(CCC=1C=CC=CC1)(C(=O)OCC)C(=O)OCC)(=O)OC |