| SpectraBase Compound ID | DEf9qv5xjnO |
|---|---|
| InChI | InChI=1S/C17H23BrO4/c1-5-17(6-2,15(19)21-11-12(3)4)16(20)22-14-9-7-13(18)8-10-14/h7-10,12H,5-6,11H2,1-4H3 |
| InChIKey | IJFDBOMRTMERGR-UHFFFAOYSA-N |
| Mol Weight | 371.27 g/mol |
| Molecular Formula | C17H23BrO4 |
| Exact Mass | 370.077972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GBmQ4pCAfAO |
|---|---|
| Name | Diethylmalonic acid, 4-bromophenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.077972217 u |
| Formula | C17H23BrO4 |
| InChI | InChI=1S/C17H23BrO4/c1-5-17(6-2,15(19)21-11-12(3)4)16(20)22-14-9-7-13(18)8-10-14/h7-10,12H,5-6,11H2,1-4H3 |
| InChIKey | IJFDBOMRTMERGR-UHFFFAOYSA-N |
| Molecular Weight | 371.271 g/mol |
| SMILES | CCC(C(OCC(C)C)=O)(C(OC1=CC=C(C=C1)Br)=O)CC |