| SpectraBase Compound ID | 2UPU4aBHIJq |
|---|---|
| InChI | InChI=1S/C18H25ClO5/c1-5-8-11-23-16(20)18(6-2,7-3)17(21)24-15-10-9-13(22-4)12-14(15)19/h9-10,12H,5-8,11H2,1-4H3 |
| InChIKey | YTUQAYISEQXZPX-UHFFFAOYSA-N |
| Mol Weight | 356.85 g/mol |
| Molecular Formula | C18H25ClO5 |
| Exact Mass | 356.139052 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 | 8bP9ctQfctJ |
|---|---|
| Name | Diethylmalonic acid, butyl 2-chloro-4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.139051600 u |
| Formula | C18H25ClO5 |
| InChI | InChI=1S/C18H25ClO5/c1-5-8-11-23-16(20)18(6-2,7-3)17(21)24-15-10-9-13(22-4)12-14(15)19/h9-10,12H,5-8,11H2,1-4H3 |
| InChIKey | YTUQAYISEQXZPX-UHFFFAOYSA-N |
| Molecular Weight | 356.846 g/mol |
| SMILES | C(C(C(OCCCC)=O)(CC)CC)(OC1=CC=C(OC)C=C1Cl)=O |