| SpectraBase Compound ID | uwQAZ6SB9o |
|---|---|
| InChI | InChI=1S/C16H21BrO4/c1-2-3-10-20-15(18)8-5-9-16(19)21-12-13-6-4-7-14(17)11-13/h4,6-7,11H,2-3,5,8-10,12H2,1H3 |
| InChIKey | YHYNOBQASBYBNQ-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 | 12c5YitLp0e |
|---|---|
| Name | Glutaric acid, 3-bromobenzyl butyl 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/c1-2-3-10-20-15(18)8-5-9-16(19)21-12-13-6-4-7-14(17)11-13/h4,6-7,11H,2-3,5,8-10,12H2,1H3 |
| InChIKey | YHYNOBQASBYBNQ-UHFFFAOYSA-N |
| Molecular Weight | 357.244 g/mol |
| SMILES | C(OCC1=CC(=CC=C1)Br)(=O)CCCC(OCCCC)=O |