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5,5'-((1-(4-bromophenyl)ethane-1,1-diyl)bis(azaneylylidene))bis(6-amino-1-(2-chlorobenzyl)dihydropyrimidine-2,4(1H,3H)-dione)

View entire compound with spectra: 1 MS (GC)

5,5'-((1-(4-bromophenyl)ethane-1,1-diyl)bis(azaneylylidene))bis(6-amino-1-(2-chlorobenzyl)dihydropyrimidine-2,4(1H,3H)-dione)
SpectraBase Compound ID AfRMsLL9ceN
InChI InChI=1S/C30H27BrCl2N8O4/c1-30(18-10-12-19(31)13-11-18,38-22-24(34)40(28(44)36-26(22)42)14-16-6-2-4-8-20(16)32)39-23-25(35)41(29(45)37-27(23)43)15-17-7-3-5-9-21(17)33/h2-13,24-25H,14-15,34-35H2,1H3,(H,36,42,44)(H,37,43,45)
InChIKey WTAMQBQWBYKQMM-UHFFFAOYSA-N
Mol Weight 714.41 g/mol
Molecular Formula C30H27BrCl2N8O4
Exact Mass 712.07157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJHRaDkNTrR
Name 5,5'-((1-(4-bromophenyl)ethane-1,1-diyl)bis(azaneylylidene))bis(6-amino-1-(2-chlorobenzyl)dihydropyrimidine-2,4(1H,3H)-dione)
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Exact Mass 712.071569777 u
Formula C30H27BrCl2N8O4
InChI InChI=1S/C30H27BrCl2N8O4/c1-30(18-10-12-19(31)13-11-18,38-22-24(34)40(28(44)36-26(22)42)14-16-6-2-4-8-20(16)32)39-23-25(35)41(29(45)37-27(23)43)15-17-7-3-5-9-21(17)33/h2-13,24-25H,14-15,34-35H2,1H3,(H,36,42,44)(H,37,43,45)
InChIKey WTAMQBQWBYKQMM-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 5050A
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2021.103669
Molecular Weight 714.408 g/mol
Quality 283
SMILES N1C(N(C(C(=NC(N=C2C(N(C(NC2=O)=O)CC2=CC=CC=C2Cl)N)(C2=CC=C(C=C2)Br)C)C1=O)N)CC1=C(C=CC=C1)Cl)=O
SPLASH splash10-0uxr-2729423800-3cf2d8df8bead5cd3696
Source of Spectrum AJC-15-15-7 (DOI: 10.1016/j.arabjc.2021.103669)
Wiley ID 1908051