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4-(4-Bromophenyl)-8-(4-bromophenyl)methylene-6-ethyl-1,2,3,4,7,8-hexahydro-5H-pyrido[4,3-d]pyrimidine-2-thione
SpectraBase Compound ID 7TvfLGtPekS
InChI InChI=1S/C22H21Br2N3S/c1-2-27-12-16(11-14-3-7-17(23)8-4-14)21-19(13-27)20(25-22(28)26-21)15-5-9-18(24)10-6-15/h3-11,20H,2,12-13H2,1H3,(H2,25,26,28)/b16-11-
InChIKey CHJRNYVCAQDOMV-WJDWOHSUSA-N
Mol Weight 519.3 g/mol
Molecular Formula C22H21Br2N3S
Exact Mass 516.982295 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IST6NjWF9cD
Name 4-(4-Bromophenyl)-8-(4-bromophenyl)methylene-6-ethyl-1,2,3,4,7,8-hexahydro-5H-pyrido[4,3-d]pyrimidine-2-thione
Alternate Name(s) (8Z)-8-(4-bromobenzylidene)-4-(4-bromophenyl)-6-ethyl-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine-2(1H)-thione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21Br2N3S
InChI InChI=1S/C22H21Br2N3S/c1-2-27-12-16(11-14-3-7-17(23)8-4-14)21-19(13-27)20(25-22(28)26-21)15-5-9-18(24)10-6-15/h3-11,20H,2,12-13H2,1H3,(H2,25,26,28)/b16-11-
InChIKey CHJRNYVCAQDOMV-WJDWOHSUSA-N
Molecular Weight 519.299 g/mol
SMILES N1C2=C(C(NC1=S)c1ccc(cc1)Br)CN(C\C2=C/c1ccc(cc1)Br)CC
SPLASH splash10-014i-0000090000-099a864e855e34113371
Source of Spectrum Y1-40-213-3
Wiley ID 1528129