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PSAMMAPLIN-G

View entire compound with spectra: 2 NMR

PSAMMAPLIN-G
SpectraBase Compound ID 5Jr1pEyd48o
InChI InChI=1S/C15H20BrN5O5S2/c16-10-7-9(1-2-12(10)22)8-11(21-26)14(23)19-4-6-28-27-5-3-18-13(20-17)15(24)25/h1-2,7,22,26H,3-6,8,17H2,(H,18,20)(H,19,23)(H,24,25)/b21-11+
InChIKey CUAMOQBDBTWBMV-SRZZPIQSSA-N
Mol Weight 494.38 g/mol
Molecular Formula C15H20BrN5O5S2
Exact Mass 493.008924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IVKYpFlafHC
Name PSAMMAPLIN-G
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H19BrN5O5S2
InChI InChI=1S/C15H20BrN5O5S2/c16-10-7-9(1-2-12(10)22)8-11(21-26)14(23)19-4-6-28-27-5-3-18-13(20-17)15(24)25/h1-2,7,22,26H,3-6,8,17H2,(H,18,20)(H,19,23)(H,24,25)/b21-11+
InChIKey CUAMOQBDBTWBMV-SRZZPIQSSA-N
Literature Reference Author I.C.PINA,J.T.GAUTSCHI,G.Y.S.WANG,M.L.SANDERS,F.J.SCHMITZ,D.F RANCE,S.C.KENNON,L.C
Literature Reference Citation J.ORG.CHEM.,68,3866(2003)
Literature Reference DOI 10.1021/jo034248t
Molecular Weight 493.370 g/mol
Solvent DMSO-D6
Source File Reference UWLU23223