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PSAMMAPLIN-H

View entire compound with spectra: 1 NMR

PSAMMAPLIN-H
SpectraBase Compound ID KuoPkMNsUGK
InChI InChI=1S/C16H22BrN3O5S2/c1-2-25-16(23)19-6-8-27-26-7-5-18-15(22)13(20-24)10-11-3-4-14(21)12(17)9-11/h3-4,9,21,24H,2,5-8,10H2,1H3,(H,18,22)(H,19,23)/b20-13+
InChIKey PSFMBZXVOPCKLJ-DEDYPNTBSA-N
Mol Weight 480.39 g/mol
Molecular Formula C16H22BrN3O5S2
Exact Mass 479.018426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6NI44e31uBr
Name PSAMMAPLIN-H
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21BrN3O5S2
InChI InChI=1S/C16H22BrN3O5S2/c1-2-25-16(23)19-6-8-27-26-7-5-18-15(22)13(20-24)10-11-3-4-14(21)12(17)9-11/h3-4,9,21,24H,2,5-8,10H2,1H3,(H,18,22)(H,19,23)/b20-13+
InChIKey PSFMBZXVOPCKLJ-DEDYPNTBSA-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 479.384 g/mol
Solvent CD3OD
Source File Reference UWLU23219