| SpectraBase Compound ID | GaT4m0hGtjl |
|---|---|
| InChI | InChI=1S/C15H17BrO4/c1-2-3-10-19-14(17)8-9-15(18)20-11-12-4-6-13(16)7-5-12/h4-9H,2-3,10-11H2,1H3/b9-8+ |
| InChIKey | NABFFCIOXFGJFV-CMDGGOBGSA-N |
| Mol Weight | 341.2 g/mol |
| Molecular Formula | C15H17BrO4 |
| Exact Mass | 340.031022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HM8n8JGUcpr |
|---|---|
| Name | Fumaric acid, 4-bromobenzyl butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.031022023 u |
| Formula | C15H17BrO4 |
| InChI | InChI=1S/C15H17BrO4/c1-2-3-10-19-14(17)8-9-15(18)20-11-12-4-6-13(16)7-5-12/h4-9H,2-3,10-11H2,1H3/b9-8+ |
| InChIKey | NABFFCIOXFGJFV-CMDGGOBGSA-N |
| Molecular Weight | 341.201 g/mol |
| SMILES | C(\C=C\C(OCC1=CC=C(C=C1)Br)=O)(OCCCC)=O |