| SpectraBase Compound ID | Iii058HWIqw |
|---|---|
| InChI | InChI=1S/C15H19BrO4/c1-11(2)10-19-14(17)4-3-5-15(18)20-13-8-6-12(16)7-9-13/h6-9,11H,3-5,10H2,1-2H3 |
| InChIKey | OBRMEIMAXWPUID-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 | 2o2i7J1ljMa |
|---|---|
| Name | Glutaric acid, 4-bromophenyl isobutyl 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/c1-11(2)10-19-14(17)4-3-5-15(18)20-13-8-6-12(16)7-9-13/h6-9,11H,3-5,10H2,1-2H3 |
| InChIKey | OBRMEIMAXWPUID-UHFFFAOYSA-N |
| Molecular Weight | 343.217 g/mol |
| SMILES | CC(C)COC(CCCC(OC1=CC=C(C=C1)Br)=O)=O |