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Diethyl (4-benzeneselenylbutyl)(3-phenyl-2-propen-1-yl)propanedioate

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Diethyl (4-benzeneselenylbutyl)(3-phenyl-2-propen-1-yl)propanedioate
SpectraBase Compound ID COXEl92zb8k
InChI InChI=1S/C26H32O4Se/c1-3-29-24(27)26(25(28)30-4-2,20-13-16-22-14-7-5-8-15-22)19-11-12-21-31-23-17-9-6-10-18-23/h5-10,13-18H,3-4,11-12,19-21H2,1-2H3/b16-13+
InChIKey CKFCKDJCCUIYDX-DTQAZKPQSA-N
Mol Weight 487.5 g/mol
Molecular Formula C26H32O4Se
Exact Mass 488.146582 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 20CuJEtXEjX
Name Diethyl (4-benzeneselenylbutyl)(3-phenyl-2-propen-1-yl)propanedioate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.146581506 u
Formula C26H32O4Se
InChI InChI=1S/C26H32O4Se/c1-3-29-24(27)26(25(28)30-4-2,20-13-16-22-14-7-5-8-15-22)19-11-12-21-31-23-17-9-6-10-18-23/h5-10,13-18H,3-4,11-12,19-21H2,1-2H3/b16-13+
InChIKey CKFCKDJCCUIYDX-DTQAZKPQSA-N
Molecular Weight 487.510 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)(C\C=C\C=1C=CC=CC1)CCCC[Se]C=1C=CC=CC1