| SpectraBase Compound ID | Jw8CpIoEPov |
|---|---|
| InChI | InChI=1S/C19H28O5/c1-6-7-10-13-22-17(20)19(4,5)18(21)24-16-12-9-8-11-15(16)23-14(2)3/h8-9,11-12,14H,6-7,10,13H2,1-5H3 |
| InChIKey | GDZGYXNMSXIHKC-UHFFFAOYSA-N |
| Mol Weight | 336.43 g/mol |
| Molecular Formula | C19H28O5 |
| Exact Mass | 336.193674 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 | 2zhT1twglYe |
|---|---|
| Name | Dimethylmalonic acid, 2-isopropoxyphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.193673997 u |
| Formula | C19H28O5 |
| InChI | InChI=1S/C19H28O5/c1-6-7-10-13-22-17(20)19(4,5)18(21)24-16-12-9-8-11-15(16)23-14(2)3/h8-9,11-12,14H,6-7,10,13H2,1-5H3 |
| InChIKey | GDZGYXNMSXIHKC-UHFFFAOYSA-N |
| Molecular Weight | 336.428 g/mol |
| SMILES | C1=CC=C(C(=C1)OC(=O)C(C)(C)C(OCCCCC)=O)OC(C)C |