| SpectraBase Compound ID | GbBgRnMqTQI |
|---|---|
| InChI | InChI=1S/C15H19BrO4/c1-2-19-14(17)8-5-9-15(18)20-11-10-12-6-3-4-7-13(12)16/h3-4,6-7H,2,5,8-11H2,1H3 |
| InChIKey | SYIUHFUMNKUQGN-UHFFFAOYSA-N |
| Mol Weight | 343.22 g/mol |
| Molecular Formula | C15H19BrO4 |
| Exact Mass | 342.046672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gc6GeAyKEBS |
|---|---|
| Name | Glutaric acid, 2-(2-bromophenyl)ethyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.046672088 u |
| Formula | C15H19BrO4 |
| InChI | InChI=1S/C15H19BrO4/c1-2-19-14(17)8-5-9-15(18)20-11-10-12-6-3-4-7-13(12)16/h3-4,6-7H,2,5,8-11H2,1H3 |
| InChIKey | SYIUHFUMNKUQGN-UHFFFAOYSA-N |
| Molecular Weight | 343.217 g/mol |
| SMILES | C(OCCC1=CC=CC=C1Br)(=O)CCCC(OCC)=O |