| SpectraBase Compound ID | 7Zg3v4LcQiN |
|---|---|
| InChI | InChI=1S/C17H32O5/c1-8-11-20-14(18)17(9-2,10-3)15(19)22-13(4)12-21-16(5,6)7/h13H,8-12H2,1-7H3 |
| InChIKey | KTTZEPZCXXYNEA-UHFFFAOYSA-N |
| Mol Weight | 316.4 g/mol |
| Molecular Formula | C17H32O5 |
| Exact Mass | 316.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BVR5U2ZIcEP |
|---|---|
| Name | Diethylmalonic acid, propyl 1-tert-butyloxyprop-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.224974125 u |
| Formula | C17H32O5 |
| InChI | InChI=1S/C17H32O5/c1-8-11-20-14(18)17(9-2,10-3)15(19)22-13(4)12-21-16(5,6)7/h13H,8-12H2,1-7H3 |
| InChIKey | KTTZEPZCXXYNEA-UHFFFAOYSA-N |
| Molecular Weight | 316.438 g/mol |
| SMILES | CC(OCC(OC(C(C(OCCC)=O)(CC)CC)=O)C)(C)C |