| SpectraBase Compound ID | AzU83xIDMAd |
|---|---|
| InChI | InChI=1S/C15H19BrO4/c1-2-19-14(17)4-3-5-15(18)20-11-10-12-6-8-13(16)9-7-12/h6-9H,2-5,10-11H2,1H3 |
| InChIKey | NXSLBIICIIHLQZ-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 | 1M2qA4sQCEB |
|---|---|
| Name | Glutaric acid, 2-(4-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)4-3-5-15(18)20-11-10-12-6-8-13(16)9-7-12/h6-9H,2-5,10-11H2,1H3 |
| InChIKey | NXSLBIICIIHLQZ-UHFFFAOYSA-N |
| Molecular Weight | 343.217 g/mol |
| SMILES | C(OCCC1=CC=C(C=C1)Br)(=O)CCCC(OCC)=O |