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(2S)-2-[(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-AMINO]-4-METHYL-N-(4-METHYLPHENYL)-PENTANAMIDE
SpectraBase Compound ID BfoQ0Gn5u26
InChI InChI=1S/C20H25N5O/c1-14(2)12-18(20(26)22-16-10-8-15(3)9-11-16)21-13-25-19-7-5-4-6-17(19)23-24-25/h4-11,14,18,21H,12-13H2,1-3H3,(H,22,26)/t18-/m0/s1
InChIKey GTRZOZKCEFRDSV-SFHVURJKSA-N
Mol Weight 351.45 g/mol
Molecular Formula C20H25N5O
Exact Mass 351.20591 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GYKo9UfN4Ue
Name (2S)-2-[(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-AMINO]-4-METHYL-N-(4-METHYLPHENYL)-PENTANAMIDE
Compound Number 7C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25N5O
InChI InChI=1S/C20H25N5O/c1-14(2)12-18(20(26)22-16-10-8-15(3)9-11-16)21-13-25-19-7-5-4-6-17(19)23-24-25/h4-11,14,18,21H,12-13H2,1-3H3,(H,22,26)/t18-/m0/s1
InChIKey GTRZOZKCEFRDSV-SFHVURJKSA-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 351.451 g/mol
Solvent CDCl3
Source File Reference UWSI22810