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PSAMMAPLIN-E

View entire compound with spectra: 1 NMR

PSAMMAPLIN-E
SpectraBase Compound ID 2ReMZa9xT64
InChI InChI=1S/C15H19BrN4O5S2/c16-10-7-9(1-2-12(10)21)8-11(20-25)14(23)18-3-5-26-27-6-4-19-15(24)13(17)22/h1-2,7,21,25H,3-6,8H2,(H2,17,22)(H,18,23)(H,19,24)/b20-11+
InChIKey YGIKYEWREOTRIM-RGVLZGJSSA-N
Mol Weight 479.36 g/mol
Molecular Formula C15H19BrN4O5S2
Exact Mass 477.998025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JW9753EkLD3
Name PSAMMAPLIN-E
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H18BrN4O5S2
InChI InChI=1S/C15H19BrN4O5S2/c16-10-7-9(1-2-12(10)21)8-11(20-25)14(23)18-3-5-26-27-6-4-19-15(24)13(17)22/h1-2,7,21,25H,3-6,8H2,(H2,17,22)(H,18,23)(H,19,24)/b20-11+
InChIKey YGIKYEWREOTRIM-RGVLZGJSSA-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 478.356 g/mol
Solvent CD3OD
Source File Reference UWLU23216