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4-(4-bromo-N-(4-keto-4-methoxy-but-2-ynyl)anilino)but-2-ynoic acid methyl ester
SpectraBase Compound ID AzRsCHA4sY1
InChI InChI=1S/C16H14BrNO4/c1-21-15(19)5-3-11-18(12-4-6-16(20)22-2)14-9-7-13(17)8-10-14/h7-10H,11-12H2,1-2H3
InChIKey QWEMDAITDKPJAT-UHFFFAOYSA-N
Mol Weight 364.2 g/mol
Molecular Formula C16H14BrNO4
Exact Mass 363.010621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FgpJlVj4kDz
Name 4-(4-bromo-N-(4-keto-4-methoxy-but-2-ynyl)anilino)but-2-ynoic acid methyl ester
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Formula C16H14BrNO4
InChI InChI=1S/C16H14BrNO4/c1-21-15(19)5-3-11-18(12-4-6-16(20)22-2)14-9-7-13(17)8-10-14/h7-10H,11-12H2,1-2H3
InChIKey QWEMDAITDKPJAT-UHFFFAOYSA-N
Molecular Weight 364.195 g/mol
SMILES c1(N(CC#CC(=O)OC)CC#CC(=O)OC)ccc(cc1)Br
SPLASH splash10-02ai-0339000000-0e077ec4130ae37f11dd
Source of Spectrum O1-28-148-2
Synonyms 4-(4-bromo-N-(4-methoxy-4-oxobut-2-ynyl)anilino)-2-butynoic acid methyl ester Methyl 4-(4-bromo-N-(4-methoxy-4-oxo-but-2-ynyl)anilino)but-2-ynoate Methyl 4-[(4-bromophenyl)-(4-methoxy-4-oxidanylidene-but-2-ynyl)amino]but-2-ynoate
Wiley ID 763694