| SpectraBase Compound ID | jNSDUKqapm |
|---|---|
| InChI | InChI=1S/C18H32O5/c1-4-7-8-9-12-22-16(19)18(5-2,6-3)17(20)23-14-15-11-10-13-21-15/h15H,4-14H2,1-3H3 |
| InChIKey | GLEWGPZZFPUAAP-UHFFFAOYSA-N |
| Mol Weight | 328.4 g/mol |
| Molecular Formula | C18H32O5 |
| Exact Mass | 328.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9q9RVCxxgL |
|---|---|
| Name | Diethylmalonic acid, hexyl tetrahydrofurfuryl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.224974125 u |
| Formula | C18H32O5 |
| InChI | InChI=1S/C18H32O5/c1-4-7-8-9-12-22-16(19)18(5-2,6-3)17(20)23-14-15-11-10-13-21-15/h15H,4-14H2,1-3H3 |
| InChIKey | GLEWGPZZFPUAAP-UHFFFAOYSA-N |
| Molecular Weight | 328.449 g/mol |
| SMILES | C(C(C(OCCCCCC)=O)(CC)CC)(OCC1OCCC1)=O |