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PSAMMAPLIN-I

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PSAMMAPLIN-I
SpectraBase Compound ID 83ynTmhLYAZ
InChI InChI=1S/C12H15BrN2O5S/c1-21(19,20)5-4-14-12(17)10(15-18)7-8-2-3-11(16)9(13)6-8/h2-3,6,16,18H,4-5,7H2,1H3,(H,14,17)/b15-10+
InChIKey KPZACOXJRSCTBD-XNTDXEJSSA-N
Mol Weight 379.23 g/mol
Molecular Formula C12H15BrN2O5S
Exact Mass 377.988506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JsS6CFj69pF
Name PSAMMAPLIN-I
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14BrN2O5S
InChI InChI=1S/C12H15BrN2O5S/c1-21(19,20)5-4-14-12(17)10(15-18)7-8-2-3-11(16)9(13)6-8/h2-3,6,16,18H,4-5,7H2,1H3,(H,14,17)/b15-10+
InChIKey KPZACOXJRSCTBD-XNTDXEJSSA-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 378.218 g/mol
Solvent CD3OD
Source File Reference UWLU23220