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3-Bromo-5-nitro-4-[(E)-2-(3-pyridinyl)ethenyl]benzoic acid ethyl ester
SpectraBase Compound ID 3qPU9i4mZEW
InChI InChI=1S/C16H13BrN2O4/c1-2-23-16(20)12-8-14(17)13(15(9-12)19(21)22)6-5-11-4-3-7-18-10-11/h3-10H,2H2,1H3/b6-5+
InChIKey DTSOTWSGULOKGE-AATRIKPKSA-N
Mol Weight 377.19 g/mol
Molecular Formula C16H13BrN2O4
Exact Mass 376.00587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YZmD7S6AbR
Name 3-Bromo-5-nitro-4-[(E)-2-(3-pyridinyl)ethenyl]benzoic acid ethyl ester
Alternate Name(s) 3-Bromo-5-nitro-4-[(E)-2-(3-pyridyl)vinyl]benzoic acid ethyl ester Ethyl 3-bromanyl-5-nitro-4-[(E)-2-pyridin-3-ylethenyl]benzoate Ethyl 3-bromo-5-nitro-4-[(E)-2-(3-pyridyl)vinyl]benzoate Ethyl 3-bromo-5-nitro-4-[(E)-2-pyridin-3-ylethenyl]benzoate
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Formula C16H13BrN2O4
InChI InChI=1S/C16H13BrN2O4/c1-2-23-16(20)12-8-14(17)13(15(9-12)19(21)22)6-5-11-4-3-7-18-10-11/h3-10H,2H2,1H3/b6-5+
InChIKey DTSOTWSGULOKGE-AATRIKPKSA-N
Molecular Weight 377.194 g/mol
SMILES C(c1cc(c(c(c1)N(=O)=O)\C=C\c1cnccc1)Br)(=O)OCC
SPLASH splash10-0n93-3895000000-ef68ba9ed66252b2bced
Source of Spectrum QF-9-5329-11
Wiley ID 1558945