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1-[[BENZYL-(2-CYANOETHYL)-AMINO]-METHYL]-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC-ACID-ETHYLESTER
SpectraBase Compound ID 2BpVeKSkS9j
InChI InChI=1S/C18H22N4O2/c1-3-24-18(23)17-12-15(2)22(20-17)14-21(11-7-10-19)13-16-8-5-4-6-9-16/h4-6,8-9,12H,3,7,11,13-14H2,1-2H3
InChIKey GPJISGZJTCLQER-UHFFFAOYSA-N
Mol Weight 326.4 g/mol
Molecular Formula C18H22N4O2
Exact Mass 326.174276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hda4AAf9YNR
Name 1-[[BENZYL-(2-CYANOETHYL)-AMINO]-METHYL]-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC-ACID-ETHYLESTER
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N4O2
InChI InChI=1S/C18H22N4O2/c1-3-24-18(23)17-12-15(2)22(20-17)14-21(11-7-10-19)13-16-8-5-4-6-9-16/h4-6,8-9,12H,3,7,11,13-14H2,1-2H3
InChIKey GPJISGZJTCLQER-UHFFFAOYSA-N
Literature Reference Author L.HERRAG,R.TOUZANI,A.RAMDANI,B.HAMMOUTI
Literature Reference Citation MOLBANK,M494(2006)
Molecular Weight 326.398 g/mol
Solvent CDCl3
Source File Reference UWLU83150