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(2R)-[2-(BENZYLSULFONYL)-9H-PURIN-6-YLAMINO]-3-METHYLBUTAN-1-OL

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(2R)-[2-(BENZYLSULFONYL)-9H-PURIN-6-YLAMINO]-3-METHYLBUTAN-1-OL
SpectraBase Compound ID 5jr2MZFkItx
InChI InChI=1S/C20H27N5O3S/c1-13(2)16(10-26)22-18-17-19(25(12-21-17)14(3)4)24-20(23-18)29(27,28)11-15-8-6-5-7-9-15/h5-9,12-14,16,26H,10-11H2,1-4H3,(H,22,23,24)/t16-/m0/s1
InChIKey NXRUXPXQJAOKGP-INIZCTEOSA-N
Mol Weight 417.53 g/mol
Molecular Formula C20H27N5O3S
Exact Mass 417.183461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cqj1XnwXYmX
Name (2R)-[2-(BENZYLSULFONYL)-9H-PURIN-6-YLAMINO]-3-METHYLBUTAN-1-OL
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H27N5O3S
InChI InChI=1S/C20H27N5O3S/c1-13(2)16(10-26)22-18-17-19(25(12-21-17)14(3)4)24-20(23-18)29(27,28)11-15-8-6-5-7-9-15/h5-9,12-14,16,26H,10-11H2,1-4H3,(H,22,23,24)/t16-/m0/s1
InChIKey NXRUXPXQJAOKGP-INIZCTEOSA-N
Literature Reference Author D.TADDEI,A.M.Z.SLAWIN,J.D.WOOLLINS
Literature Reference Citation EUR.J.ORG.CHEM.,939(2005)
Molecular Weight 417.526 g/mol
Sample ID 39087
Solvent CD3OD