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(1-alpha,2-alpha,3-beta,4-beta)-1,3-Bis-(1,2,3,4,5,6-tetrahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinylidenmethyl)-2,4-diphenylcyclobutane
SpectraBase Compound ID 9CUddGI2XAw
InChI InChI=1S/C30H28N4O6/c1-31-25(35)21(26(36)32(2)29(31)39)15-19-23(17-11-7-5-8-12-17)20(24(19)18-13-9-6-10-14-18)16-22-27(37)33(3)30(40)34(4)28(22)38/h5-16,19-20,23-24H,1-4H3/t19-,20-,23-,24-
InChIKey HHLXBWDJNWBCBD-MLBZNNKTSA-N
Mol Weight 540.58 g/mol
Molecular Formula C30H28N4O6
Exact Mass 540.200885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOKOFBPp6ry
Name (1.alpha.,2.alpha.,3.beta.,4.beta.)-1,3-bis(1,2,3,4,5,6-hexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinylidenemethyl)2,4-diphenylcyclobutane
CAS Registry Number 115984-30-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H28N4O6
InChI InChI=1S/C30H28N4O6/c1-31-25(35)21(26(36)32(2)29(31)39)15-19-23(17-11-7-5-8-12-17)20(24(19)18-13-9-6-10-14-18)16-22-27(37)33(3)30(40)34(4)28(22)38/h5-16,19-20,23-24H,1-4H3/t19-,20-,23-,24-
InChIKey HHLXBWDJNWBCBD-MLBZNNKTSA-N
Molecular Weight 540.576 g/mol
SMILES C1(C(N(C)C(N(C1=O)C)=O)=O)=C[C@]1([C@](c2ccccc2)([C@](C=C2C(N(C)C(N(C2=O)C)=O)=O)([C@]1(c1ccccc1)[H])[H])[H])[H]
SPLASH splash10-00di-0912010000-3cfb876f393f5db60c7f
Source of Spectrum K-121-2142-7
Synonyms (1.alpha.,2.alpha.,3.beta.,4.beta.)-1,3-bis(1,2,3,4,5,6-hexahydro-1,3-dimethyl-2,4,6-triox-5-pyrimidinylidenemethyl)2,4-diphenylcyclobutane 5-({3-[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,4-diphenylcyclobutyl}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Wiley ID 1404640