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(E)-Diethyl 2-(4-bromobenzylidene)succinate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(E)-Diethyl 2-(4-bromobenzylidene)succinate
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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EfYXnCnkHWC
Name (E)-Diethyl 2-(4-bromobenzylidene)succinate
Comments Computed using SmartSpectra Model v1.42
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
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950606