| SpectraBase Compound ID | E6sZ2QBCMmi |
|---|---|
| InChI | InChI=1S/C16H21BrO4/c1-2-10-20-15(18)7-4-8-16(19)21-11-9-13-5-3-6-14(17)12-13/h3,5-6,12H,2,4,7-11H2,1H3 |
| InChIKey | HWKDSBPORRAWDY-UHFFFAOYSA-N |
| Mol Weight | 357.24 g/mol |
| Molecular Formula | C16H21BrO4 |
| Exact Mass | 356.062322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | xXMjjAppui |
|---|---|
| Name | Glutaric acid, 2-(3-bromophenyl)ethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.062322152 u |
| Formula | C16H21BrO4 |
| InChI | InChI=1S/C16H21BrO4/c1-2-10-20-15(18)7-4-8-16(19)21-11-9-13-5-3-6-14(17)12-13/h3,5-6,12H,2,4,7-11H2,1H3 |
| InChIKey | HWKDSBPORRAWDY-UHFFFAOYSA-N |
| Molecular Weight | 357.244 g/mol |
| SMILES | C(OCCC1=CC=CC(=C1)Br)(=O)CCCC(OCCC)=O |