| SpectraBase Compound ID | Cu2WgXhQh23 |
|---|---|
| InChI | InChI=1S/C17H23BrO4/c1-12(2)11-21-16(19)8-5-9-17(20)22-13(3)14-6-4-7-15(18)10-14/h4,6-7,10,12-13H,5,8-9,11H2,1-3H3 |
| InChIKey | ZOIIVPSMIFLLTP-UHFFFAOYSA-N |
| Mol Weight | 371.27 g/mol |
| Molecular Formula | C17H23BrO4 |
| Exact Mass | 370.077972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AUxz9CbNUFB |
|---|---|
| Name | Glutaric acid, 1-(3-bromophenyl)ethyl isobutyl 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/c1-12(2)11-21-16(19)8-5-9-17(20)22-13(3)14-6-4-7-15(18)10-14/h4,6-7,10,12-13H,5,8-9,11H2,1-3H3 |
| InChIKey | ZOIIVPSMIFLLTP-UHFFFAOYSA-N |
| Molecular Weight | 371.271 g/mol |
| SMILES | C(OC(C)C1=CC=CC(=C1)Br)(=O)CCCC(OCC(C)C)=O |