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(8RS,2'RS)-ISOMER

View entire compound with spectra: 2 NMR

(8RS,2'RS)-ISOMER
SpectraBase Compound ID K8EVolNoQSR
InChI InChI=1S/C17H27N7O3S/c1-3-27-13(25)12-6-4-5-7-17(12)19-14-18-15(23-8-10-26-11-9-23)20-24(14)16(28)22(2)21-17/h12,21H,3-11H2,1-2H3,(H,18,19,20)
InChIKey NXRGGNJLBYINPY-UHFFFAOYSA-N
Mol Weight 409.51 g/mol
Molecular Formula C17H27N7O3S
Exact Mass 409.189609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6TUzyG742Po
Name (8RS,2'RS)-ISOMER
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H27N7O3S
InChI InChI=1S/C17H27N7O3S/c1-3-27-13(25)12-6-4-5-7-17(12)19-14-18-15(23-8-10-26-11-9-23)20-24(14)16(28)22(2)21-17/h12,21H,3-11H2,1-2H3,(H,18,19,20)
InChIKey NXRGGNJLBYINPY-UHFFFAOYSA-N
Literature Reference Author J.REITER,J.BARKOCZY,I.PALLAGI
Literature Reference Citation J.HETCYCL.CHEM.,30,1325(1993)
Literature Reference DOI 10.1002/jhet.5570300524
Molecular Weight 409.506 g/mol
Solvent DMSO-D6
Source File Reference UWGE880