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(1.alpha.,2.alpha.,3.beta.,4.beta.)-1,3-diacetyl-2,4-bis[(E)-3-(2-acetylethenyl)phenyl]cyclobutane
SpectraBase Compound ID FwpYviCjgVr
InChI InChI=1S/C28H28O4/c1-17(29)11-13-21-7-5-9-23(15-21)27-25(19(3)31)28(26(27)20(4)32)24-10-6-8-22(16-24)14-12-18(2)30/h5-16,25-28H,1-4H3/b13-11+,14-12+/t25-,26-,27-,28-
InChIKey LITKQTVERKBWHZ-OMYAQLQZSA-N
Mol Weight 428.53 g/mol
Molecular Formula C28H28O4
Exact Mass 428.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J424gyIOiNv
Name (1.alpha.,2.alpha.,3.beta.,4.beta.)-1,3-diacetyl-2,4-bis[(E)-3-(2-acetylethenyl)phenyl]cyclobutane
Alternate Name(s) (3E)-4-[3-(2,4-diacetyl-3-{3-[(1E)-3-oxo-1-butenyl]phenyl}cyclobutyl)phenyl]-3-buten-2-one
CAS Registry Number 115984-47-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28O4
InChI InChI=1S/C28H28O4/c1-17(29)11-13-21-7-5-9-23(15-21)27-25(19(3)31)28(26(27)20(4)32)24-10-6-8-22(16-24)14-12-18(2)30/h5-16,25-28H,1-4H3/b13-11+,14-12+/t25-,26-,27-,28-
InChIKey LITKQTVERKBWHZ-OMYAQLQZSA-N
Molecular Weight 428.528 g/mol
SMILES [C@]1([C@](C(=O)C)([C@@]([C@]1(C(=O)C)[H])(c1cc(\C=C\C(=O)C)ccc1)[H])[H])(c1cc(\C=C\C(=O)C)ccc1)[H]
SPLASH splash10-006x-9714100000-f6a083aed1986e6a9c0a
Source of Spectrum K-121-2144-22
Wiley ID 1380858