| SpectraBase Compound ID | 64eWMP8esTb |
|---|---|
| InChI | InChI=1S/C17H30O5/c1-4-7-8-11-21-15(18)17(5-2,6-3)16(19)22-13-14-10-9-12-20-14/h14H,4-13H2,1-3H3 |
| InChIKey | IMLKFDBVHWPKQR-UHFFFAOYSA-N |
| Mol Weight | 314.42 g/mol |
| Molecular Formula | C17H30O5 |
| Exact Mass | 314.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2B1G9RtNbSd |
|---|---|
| Name | Diethylmalonic acid, pentyl tetrahydrofurfuryl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.209324061 u |
| Formula | C17H30O5 |
| InChI | InChI=1S/C17H30O5/c1-4-7-8-11-21-15(18)17(5-2,6-3)16(19)22-13-14-10-9-12-20-14/h14H,4-13H2,1-3H3 |
| InChIKey | IMLKFDBVHWPKQR-UHFFFAOYSA-N |
| SMILES | C(C(C(OCCCCC)=O)(CC)CC)(OCC1OCCC1)=O |