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(2S)-2-[(CYANOMETHYL)-AMINO]-4-METHYL-N-(4-METHYLPHENYL)-PENTANAMIDE
SpectraBase Compound ID GsUAikzYeRU
InChI InChI=1S/C15H21N3O/c1-11(2)10-14(17-9-8-16)15(19)18-13-6-4-12(3)5-7-13/h4-7,11,14,17H,9-10H2,1-3H3,(H,18,19)/t14-/m0/s1
InChIKey OTSFDABCQNQNJS-AWEZNQCLSA-N
Mol Weight 259.35 g/mol
Molecular Formula C15H21N3O
Exact Mass 259.168462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4XnEWCqxihf
Name (2S)-2-[(CYANOMETHYL)-AMINO]-4-METHYL-N-(4-METHYLPHENYL)-PENTANAMIDE
Compound Number 8F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H21N3O
InChI InChI=1S/C15H21N3O/c1-11(2)10-14(17-9-8-16)15(19)18-13-6-4-12(3)5-7-13/h4-7,11,14,17H,9-10H2,1-3H3,(H,18,19)/t14-/m0/s1
InChIKey OTSFDABCQNQNJS-AWEZNQCLSA-N
Literature Reference Author A.R.KATRITZKY,N.KIRICHENKO,B.V.ROGOVOY,H.Y.HE
Literature Reference Citation J.ORG.CHEM.,68,9088(2003)
Literature Reference DOI 10.1021/jo026622f
Molecular Weight 259.351 g/mol
Solvent CDCl3
Source File Reference UWSI22817