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Dimethyl 2-(2'-aminobenzimidazol)-3-(triphenylphosphoranylidene)butanedioate
SpectraBase Compound ID Cm3M4KOkT4U
InChI InChI=1S/C31H28N3O4P/c1-37-29(35)27(34-26-21-13-12-20-25(26)33-31(34)32)28(30(36)38-2)39(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-21,27H,1-2H3,(H2-,32,33,36)/b30-28-
InChIKey SYENPABUIQDTMZ-HYOGKJQXSA-N
Mol Weight 537.56 g/mol
Molecular Formula C31H28N3O4P
Exact Mass 537.181743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wsaNWEJEuJ
Name Dimethyl 2-(2'-aminobenzimidazol)-3-(triphenylphosphoranylidene)butanedioate
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Formula C31H28N3O4P
InChI InChI=1S/C31H28N3O4P/c1-37-29(35)27(34-26-21-13-12-20-25(26)33-31(34)32)28(30(36)38-2)39(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-21,27H,1-2H3,(H2-,32,33,36)/b30-28-
InChIKey SYENPABUIQDTMZ-HYOGKJQXSA-N
Molecular Weight 537.556 g/mol
SMILES Nc1[n](C(\C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C/([O-])OC)C(=O)OC)c2c(cccc2)n1
SPLASH splash10-06w9-3890200000-5af789be69d4b6b4b86d
Source of Spectrum SK-31-2643-4
Synonyms (Z)-3-(2-amino-1-benzimidazolyl)-1,4-dimethoxy-4-oxo-2-triphenylphosphiniumyl-1-buten-1-olate (Z)-3-(2-aminobenzimidazol-1-yl)-1,4-dimethoxy-4-oxo-2-triphenylphosphaniumylbut-1-en-1-olate (Z)-3-(2-aminobenzimidazol-1-yl)-1,4-dimethoxy-4-oxo-2-triphenylphosphaniumyl-but-1-en-1-olate (Z)-3-(2-azanylbenzimidazol-1-yl)-1,4-dimethoxy-4-oxidanylidene-2-triphenylphosphaniumyl-but-1-en-1-olate
Wiley ID 882152