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PNU-101387-N(11)-OXIDE

View entire compound with spectra: 1 NMR

PNU-101387-N(11)-OXIDE
SpectraBase Compound ID 7IE7esqIIaO
InChI InChI=1S/C21H27N3O4S/c22-29(26,27)19-7-5-18(6-8-19)23-11-14-24(25,15-12-23)13-9-21-20-4-2-1-3-17(20)10-16-28-21/h1-8,21H,9-16H2,(H2,22,26,27)/t21-/m0/s1
InChIKey VTMQZCFYWPIJPD-NRFANRHFSA-N
Mol Weight 417.52 g/mol
Molecular Formula C21H27N3O4S
Exact Mass 417.172228 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9SEy0ALkGzk
Name PNU-101387-N(11)-OXIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27N3O4S
InChI InChI=1S/C21H27N3O4S/c22-29(26,27)19-7-5-18(6-8-19)23-11-14-24(25,15-12-23)13-9-21-20-4-2-1-3-17(20)10-16-28-21/h1-8,21H,9-16H2,(H2,22,26,27)/t21-/m0/s1
InChIKey VTMQZCFYWPIJPD-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 UWPA8004