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Methyl 4-(([4-(cyanomethyl)-1-piperazinyl]acetyl)amino)benzoate
SpectraBase Compound ID FSuHHVjmGyb
InChI InChI=1S/C16H20N4O3/c1-23-16(22)13-2-4-14(5-3-13)18-15(21)12-20-10-8-19(7-6-17)9-11-20/h2-5H,7-12H2,1H3,(H,18,21)
InChIKey IQQSOIZOFKFHSH-UHFFFAOYSA-N
Mol Weight 316.36 g/mol
Molecular Formula C16H20N4O3
Exact Mass 316.153541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dhc1ra4Fxfe
Name Methyl 4-(([4-(cyanomethyl)-1-piperazinyl]acetyl)amino)benzoate
Alternate Name(s) 4-[[2-[4-(cyanomethyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester 4-[[2-[4-(cyanomethyl)piperazino]acetyl]amino]benzoic acid methyl ester Benzoic acid, 4-[2-(4-cyanomethyl-1-piperazinyl)-1-oxoethyl]amino-, methyl ester Methyl 4-[2-[4-(cyanomethyl)piperazin-1-yl]ethanoylamino]benzoate Methyl 4-[[2-[4-(cyanomethyl)piperazin-1-yl]acetyl]amino]benzoate
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Formula C16H20N4O3
InChI InChI=1S/C16H20N4O3/c1-23-16(22)13-2-4-14(5-3-13)18-15(21)12-20-10-8-19(7-6-17)9-11-20/h2-5H,7-12H2,1H3,(H,18,21)
InChIKey IQQSOIZOFKFHSH-UHFFFAOYSA-N
Molecular Weight 316.361 g/mol
SMILES N(C(CN1CCN(CC1)CC#N)=O)c1ccc(C(=O)OC)cc1
SPLASH splash10-000i-4900000000-91e2521d3bacc4e5e73d
Source of Spectrum AD-0-2532-0
Wiley ID 1426297