| SpectraBase Compound ID | AZgAn68imp4 |
|---|---|
| InChI | InChI=1S/C19H27BrO4/c1-4-7-8-13-23-17(21)19(5-2,6-3)18(22)24-14-15-9-11-16(20)12-10-15/h9-12H,4-8,13-14H2,1-3H3 |
| InChIKey | PVWCGEBPYYXGHP-UHFFFAOYSA-N |
| Mol Weight | 399.33 g/mol |
| Molecular Formula | C19H27BrO4 |
| Exact Mass | 398.109272 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 | KcAjcPsVlMy |
|---|---|
| Name | Diethylmalonic acid, 4-bromobenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.109272345 u |
| Formula | C19H27BrO4 |
| InChI | InChI=1S/C19H27BrO4/c1-4-7-8-13-23-17(21)19(5-2,6-3)18(22)24-14-15-9-11-16(20)12-10-15/h9-12H,4-8,13-14H2,1-3H3 |
| InChIKey | PVWCGEBPYYXGHP-UHFFFAOYSA-N |
| Molecular Weight | 399.325 g/mol |
| SMILES | CCC(C(OCCCCC)=O)(C(OCC1=CC=C(C=C1)Br)=O)CC |