| SpectraBase Compound ID | ATrMl7TG4v5 |
|---|---|
| InChI | InChI=1S/C15H19BrO4/c1-11(2)9-19-14(17)7-8-15(18)20-10-12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3 |
| InChIKey | COSQZGDNYBGLCG-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 | 2GGPRjZ5MSd |
|---|---|
| Name | Succinic acid, 4-bromobenzyl 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)9-19-14(17)7-8-15(18)20-10-12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3 |
| InChIKey | COSQZGDNYBGLCG-UHFFFAOYSA-N |
| Molecular Weight | 343.217 g/mol |
| SMILES | C(OC(=O)CCC(OCC(C)C)=O)C1=CC=C(C=C1)Br |