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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

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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 KBeTzWsWXnF
Name (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
Alternate Name(s) 5,5'-(((1R,2R,3S,4S)-2,4-diphenylcyclobutane-1,3-diyl)bis(methaneylylidene))bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione)
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
Literature Reference DOI 10.1002/cber.19881211211
Molecular Weight 540.576 g/mol
SMILES [C@]1([C@@]([C@@]([C@]1(c1ccccc1)[H])(C=C1C(N(C(N(C1=O)C)=O)C)=O)[H])(c1ccccc1)[H])(C=C1C(N(C(N(C1=O)C)=O)C)=O)[H]
SPLASH splash10-00di-0493010000-d7b1dab6ceddfa2fc382
Source of Spectrum K-121-2142-7f
Wiley ID 1794553