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Dimethyl 3-phenyl-4-(2-phenyl-3,3,4,4-tetramethylcyclobutenyl)cyclobut-3-ene-1,2-dicarboxylate
SpectraBase Compound ID 4BKMCqOvfBZ
InChI InChI=1S/C28H30O4/c1-27(2)23(18-15-11-8-12-16-18)24(28(27,3)4)20-19(17-13-9-7-10-14-17)21(25(29)31-5)22(20)26(30)32-6/h7-16,21-22H,1-6H3/t21-,22-/m1/s1
InChIKey VOXMZJJSFAFRIX-FGZHOGPDSA-N
Mol Weight 430.54 g/mol
Molecular Formula C28H30O4
Exact Mass 430.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JHVi4TMIq
Name Dimethyl 3-phenyl-4-(2-phenyl-3,3,4,4-tetramethylcyclobutenyl)cyclobut-3-ene-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O4
InChI InChI=1S/C28H30O4/c1-27(2)23(18-15-11-8-12-16-18)24(28(27,3)4)20-19(17-13-9-7-10-14-17)21(25(29)31-5)22(20)26(30)32-6/h7-16,21-22H,1-6H3/t21-,22-/m1/s1
InChIKey VOXMZJJSFAFRIX-FGZHOGPDSA-N
Molecular Weight 430.544 g/mol
SMILES C1(C2=C(c3ccccc3)[C@]([C@@]2(C(=O)OC)[H])(C(=O)OC)[H])=C(c2ccccc2)C(C1(C)C)(C)C
SPLASH splash10-00l7-9520100000-c948095a36ec00eeac7b
Source of Spectrum QB-14-509-6
Synonyms (1S,2S)-Dimethyl 3-phenyl-4-(2-phenyl-3,3,4,4-tetramethylcyclobutenyl)cyclobut-3-ene-1,2-dicarboxylate (2S,3S)-3',3',4',4'-Tetramethyl-4,2'-diphenyl-bicyclobutyl-4,1'-diene-2,3-dicarboxylic acid dimethyl ester 1,2-Dimethyl 3-phenyl-4-(3,3,4,4-tetramethyl-2-phenylcyclobut-1-en-1-yl)cyclobut-3-ene-1,2-dicarboxylate
Wiley ID 841131