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PNU-101387
SpectraBase Compound ID HlJ30T9kgML
InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m0/s1
InChIKey WNUQCGWXPNGORO-NRFANRHFSA-N
Mol Weight 401.53 g/mol
Molecular Formula C21H27N3O3S
Exact Mass 401.177313 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ytfqFJ1g1v
Name PNU-101387
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27N3O3S
InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m0/s1
InChIKey WNUQCGWXPNGORO-NRFANRHFSA-N
Literature Reference Author K.A.FARLEY,P.B.BOWMAN,J.C.BRUMFIELD,F.W.CROW,W.K.DUHOLKE,J.E .GUIDO,R.H.ROBINS,S.
Literature Reference Citation MAGN.RES.CHEM.,36,S11(1998)
Literature Reference DOI 10.1002/(sici)1097-458x(199806)36:133.0.co;2-r
Solvent DMSO-D6
Source File Reference UWPA8003