| SpectraBase Compound ID | JHkLbM5oIny |
|---|---|
| InChI | InChI=1S/C17H23BrO4/c1-2-3-11-21-16(19)8-5-9-17(20)22-12-10-14-6-4-7-15(18)13-14/h4,6-7,13H,2-3,5,8-12H2,1H3 |
| InChIKey | SWHNXPQDJSJNOI-UHFFFAOYSA-N |
| Mol Weight | 371.27 g/mol |
| Molecular Formula | C17H23BrO4 |
| Exact Mass | 370.077972 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 | Dx6KBG4oDqD |
|---|---|
| Name | Glutaric acid, 2-(3-bromophenyl)ethyl butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.077972217 u |
| Formula | C17H23BrO4 |
| InChI | InChI=1S/C17H23BrO4/c1-2-3-11-21-16(19)8-5-9-17(20)22-12-10-14-6-4-7-15(18)13-14/h4,6-7,13H,2-3,5,8-12H2,1H3 |
| InChIKey | SWHNXPQDJSJNOI-UHFFFAOYSA-N |
| Molecular Weight | 371.271 g/mol |
| SMILES | C(OCCC1=CC=CC(=C1)Br)(=O)CCCC(OCCCC)=O |