| SpectraBase Compound ID | 7d32pth7Xpd |
|---|---|
| InChI | InChI=1S/C17H32O5/c1-5-8-9-10-11-12-21-15(18)17(6-2,7-3)16(19)22-14-13-20-4/h5-14H2,1-4H3 |
| InChIKey | ZAXZKKMLSYTMIW-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 | 6cIOgDqrGdt |
|---|---|
| Name | Diethylmalonic acid, heptyl 2-methoxyethyl 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/c1-5-8-9-10-11-12-21-15(18)17(6-2,7-3)16(19)22-14-13-20-4/h5-14H2,1-4H3 |
| InChIKey | ZAXZKKMLSYTMIW-UHFFFAOYSA-N |
| Molecular Weight | 316.438 g/mol |
| SMILES | C(C(C(OCCCCCCC)=O)(CC)CC)(OCCOC)=O |