| SpectraBase Compound ID | 4HNvFEYjjgp |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-6-9-10-13-24-18(21)20(7-2,8-3)19(22)25-17-14-15(4)11-12-16(17)23-5/h11-12,14H,6-10,13H2,1-5H3 |
| InChIKey | NXTPMORWRUYSBR-UHFFFAOYSA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 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 | Bic92jj86Dc |
|---|---|
| Name | Diethylmalonic acid, 5-methyl-2-methoxyphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.209324061 u |
| Formula | C20H30O5 |
| InChI | InChI=1S/C20H30O5/c1-6-9-10-13-24-18(21)20(7-2,8-3)19(22)25-17-14-15(4)11-12-16(17)23-5/h11-12,14H,6-10,13H2,1-5H3 |
| InChIKey | NXTPMORWRUYSBR-UHFFFAOYSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | C(C(C(OCCCCC)=O)(CC)CC)(OC=1C=C(C)C=CC1OC)=O |