| SpectraBase Compound ID | 4TRQJcQDu0Y |
|---|---|
| InChI | InChI=1S/C14H18O4/c1-5-17-12(15)14(3,4)13(16)18-11-9-7-6-8-10(11)2/h6-9H,5H2,1-4H3 |
| InChIKey | ZALSQJZHOKEFPD-UHFFFAOYSA-N |
| Mol Weight | 250.29 g/mol |
| Molecular Formula | C14H18O4 |
| Exact Mass | 250.120509 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 | 3WbpfFVaKyF |
|---|---|
| Name | Dimethylmalonic acid, ethyl 2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.120509056 u |
| Formula | C14H18O4 |
| InChI | InChI=1S/C14H18O4/c1-5-17-12(15)14(3,4)13(16)18-11-9-7-6-8-10(11)2/h6-9H,5H2,1-4H3 |
| InChIKey | ZALSQJZHOKEFPD-UHFFFAOYSA-N |
| Molecular Weight | 250.294 g/mol |
| SMILES | CC1=CC=CC=C1OC(=O)C(C)(C)C(OCC)=O |