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(E,E)-3-[2,5-Dipropoxy-4-(3-oxo-3-phenylpropenyl)phenyl]-1-phenyl-prop-2-en-1-one
SpectraBase Compound ID ApB12gsdsSi
InChI InChI=1S/C30H30O4/c1-3-19-33-29-21-26(16-18-28(32)24-13-9-6-10-14-24)30(34-20-4-2)22-25(29)15-17-27(31)23-11-7-5-8-12-23/h5-18,21-22H,3-4,19-20H2,1-2H3/b17-15+,18-16+
InChIKey PYXCXDNOGFHXJZ-YTEMWHBBSA-N
Mol Weight 454.57 g/mol
Molecular Formula C30H30O4
Exact Mass 454.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J24XHyTGw0K
Name (E,E)-3-[2,5-Dipropoxy-4-(3-oxo-3-phenylpropenyl)phenyl]-1-phenyl-prop-2-en-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.214409442 u
Formula C30H30O4
InChI InChI=1S/C30H30O4/c1-3-19-33-29-21-26(16-18-28(32)24-13-9-6-10-14-24)30(34-20-4-2)22-25(29)15-17-27(31)23-11-7-5-8-12-23/h5-18,21-22H,3-4,19-20H2,1-2H3/b17-15+,18-16+
InChIKey PYXCXDNOGFHXJZ-YTEMWHBBSA-N
Molecular Weight 454.566 g/mol
SMILES C=1C=C(C=CC1)C(\C=C\C1=CC(=C(\C=C\C(C2=CC=CC=C2)=O)C=C1OCCC)OCCC)=O