| SpectraBase Compound ID | Der2my7TLdv |
|---|---|
| InChI | InChI=1S/C15H17BrO4/c1-3-19-14(17)10-12(15(18)20-4-2)9-11-5-7-13(16)8-6-11/h5-9H,3-4,10H2,1-2H3/b12-9+ |
| InChIKey | HBYOCDPLBKJZAV-FMIVXFBMSA-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 | 87SqsHgUiLN |
|---|---|
| Name | (E)-Diethyl 2-(4-bromobenzylidene)succinate |
| 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/c1-3-19-14(17)10-12(15(18)20-4-2)9-11-5-7-13(16)8-6-11/h5-9H,3-4,10H2,1-2H3/b12-9+ |
| InChIKey | HBYOCDPLBKJZAV-FMIVXFBMSA-N |
| Molecular Weight | 341.201 g/mol |
| SMILES | C(\C(CC(=O)OCC)=C\C1=CC=C(C=C1)Br)(=O)OCC |