| SpectraBase Compound ID | 3NyZGg5pear |
|---|---|
| InChI | InChI=1S/C17H23BrO4/c1-2-3-12-21-16(19)9-6-10-17(20)22-13-11-14-7-4-5-8-15(14)18/h4-5,7-8H,2-3,6,9-13H2,1H3 |
| InChIKey | UAHNHSSHJPIQMY-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 | 4KVcZBu0Wwc |
|---|---|
| Name | Glutaric acid, 2-(2-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/c1-2-3-12-21-16(19)9-6-10-17(20)22-13-11-14-7-4-5-8-15(14)18/h4-5,7-8H,2-3,6,9-13H2,1H3 |
| InChIKey | UAHNHSSHJPIQMY-UHFFFAOYSA-N |
| Molecular Weight | 371.271 g/mol |
| SMILES | C(OCCC1=CC=CC=C1Br)(=O)CCCC(OCCCC)=O |