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METHYL-(2S)-2-[(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-AMINO]-3-PHENYLPROPANOATE
SpectraBase Compound ID 9lYgTdV16Tm
InChI InChI=1S/C17H18N4O2/c1-23-17(22)15(11-13-7-3-2-4-8-13)18-12-21-16-10-6-5-9-14(16)19-20-21/h2-10,15,18H,11-12H2,1H3/t15-/m1/s1
InChIKey YAKGPEUAEAUWDT-OAHLLOKOSA-N
Mol Weight 310.36 g/mol
Molecular Formula C17H18N4O2
Exact Mass 310.142976 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FglJ0n5skbc
Name METHYL-(2S)-2-[(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-AMINO]-3-PHENYLPROPANOATE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18N4O2
InChI InChI=1S/C17H18N4O2/c1-23-17(22)15(11-13-7-3-2-4-8-13)18-12-21-16-10-6-5-9-14(16)19-20-21/h2-10,15,18H,11-12H2,1H3/t15-/m1/s1
InChIKey YAKGPEUAEAUWDT-OAHLLOKOSA-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 310.356 g/mol
Solvent CDCl3
Source File Reference UWSI22796