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Benzoic acid, 4-[2-(4-cyanomethyl-1-piperazinyl)-1-oxoethyl]amino-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzoic acid, 4-[2-(4-cyanomethyl-1-piperazinyl)-1-oxoethyl]amino-, methyl ester
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DasuISiPo3w
Name Benzoic acid, 4-[2-(4-cyanomethyl-1-piperazinyl)-1-oxoethyl]amino-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.153540517 u
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 C(NC1=CC=C(C(OC)=O)C=C1)(CN1CCN(CC#N)CC1)=O