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Ethyl bromocyanoacetate
SpectraBase Compound ID 2cw6MOnBZ8
InChI InChI=1S/C5H6BrNO2/c1-2-9-5(8)4(6)3-7/h4H,2H2,1H3
InChIKey QFGBTDLJOFKSQL-UHFFFAOYSA-N
Mol Weight 192.01 g/mol
Molecular Formula C5H6BrNO2
Exact Mass 190.958191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AHK0cRyXA
Name Ethyl bromocyanoacetate
Alternate Name(s) 2-Bromo-2-cyano-acetic acid ethyl ester Ethyl 2-bromo-2-cyanoacetate Ethyl 2-bromanyl-2-cyano-ethanoate Ethyl 2-bromo-2-cyano-acetate 2-Bromo-2-cyanoacetic acid ethyl ester Ethyl bromo(cyano)acetate
Comments Less than 3 mono-isotopic peaks
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Formula C5H6BrNO2
InChI InChI=1S/C5H6BrNO2/c1-2-9-5(8)4(6)3-7/h4H,2H2,1H3
InChIKey QFGBTDLJOFKSQL-UHFFFAOYSA-N
Molecular Weight 192.012 g/mol
SMILES C(C(C#N)Br)(=O)OCC
SPLASH splash10-0006-0900000000-b2e720445799a5e65db4
Source of Spectrum SO-0-769-2
Wiley ID 1541579