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(1.alpha.,2.beta.,3.alpha.,4.beta.)-1,2-diacetyl-3,4-bis[(E)-2-(2-acetylethenyl)phenyl]cyclobutane
SpectraBase Compound ID KCVQA2eBGZP
InChI InChI=1S/C28H28O4/c1-17(29)13-15-21-9-5-7-11-23(21)27-25(19(3)31)26(20(4)32)28(27)24-12-8-6-10-22(24)16-14-18(2)30/h5-16,25-28H,1-4H3/b15-13+,16-14+/t25-,26-,27+,28+/m1/s1
InChIKey KPQJJFRDMMJVQV-AIEZOTBESA-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 4chLRqsbTCn
Name (1.alpha.,2.beta.,3.alpha.,4.beta.)-1,2-diacetyl-3,4-bis[(E)-2-(2-acetylethenyl)phenyl]cyclobutane
CAS Registry Number 115984-45-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28O4
InChI InChI=1S/C28H28O4/c1-17(29)13-15-21-9-5-7-11-23(21)27-25(19(3)31)26(20(4)32)28(27)24-12-8-6-10-22(24)16-14-18(2)30/h5-16,25-28H,1-4H3/b15-13+,16-14+/t25-,26-,27+,28+/m1/s1
InChIKey KPQJJFRDMMJVQV-AIEZOTBESA-N
Molecular Weight 428.528 g/mol
SMILES [C@@]1([C@@](c2c(\C=C\C(=O)C)cccc2)([C@@]([C@]1(C(=O)C)[H])(C(=O)C)[H])[H])(c1c(\C=C\C(=O)C)cccc1)[H]
SPLASH splash10-00di-0931000000-efe520e40d37272c1ce7
Source of Spectrum K-121-2143-20
Synonyms (3E)-4-[2-((1R,2S,3S,4R)-2,3-diacetyl-4-{2-[(1E)-3-oxo-1-butenyl]phenyl}cyclobutyl)phenyl]-3-buten-2-one
Wiley ID 1380857