| SpectraBase Compound ID | oQDCIg8Xb1 |
|---|---|
| InChI | InChI=1S/C20H29BrO4/c1-2-3-4-5-6-7-14-24-19(22)11-12-20(23)25-15-13-17-9-8-10-18(21)16-17/h8-10,16H,2-7,11-15H2,1H3 |
| InChIKey | RMGUHOIUBZEPMP-UHFFFAOYSA-N |
| Mol Weight | 413.35 g/mol |
| Molecular Formula | C20H29BrO4 |
| Exact Mass | 412.124922 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 | Gcf94IdaDnY |
|---|---|
| Name | Succinic acid, 3-bromophenethyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.124922410 u |
| Formula | C20H29BrO4 |
| InChI | InChI=1S/C20H29BrO4/c1-2-3-4-5-6-7-14-24-19(22)11-12-20(23)25-15-13-17-9-8-10-18(21)16-17/h8-10,16H,2-7,11-15H2,1H3 |
| InChIKey | RMGUHOIUBZEPMP-UHFFFAOYSA-N |
| Molecular Weight | 413.352 g/mol |
| SMILES | C(CCC(OCCC1=CC=CC(=C1)Br)=O)(OCCCCCCCC)=O |