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PANTOCIN-B
SpectraBase Compound ID E94oQaczv4u
InChI InChI=1S/C9H17N3O6S/c1-5(10)8(14)12-4-11-7(13)3-6(9(15)16)19(2,17)18/h5-6H,3-4,10H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)/t5-,6-/m0/s1
InChIKey QPOFRFGIYSXYSK-WDSKDSINSA-N
Mol Weight 295.31 g/mol
Molecular Formula C9H17N3O6S
Exact Mass 295.083806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9F9pKDDwQWZ
Name PANTOCIN-B
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H17N3O6S
InChI InChI=1S/C9H17N3O6S/c1-5(10)8(14)12-4-11-7(13)3-6(9(15)16)19(2,17)18/h5-6H,3-4,10H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)/t5-,6-/m0/s1
InChIKey QPOFRFGIYSXYSK-WDSKDSINSA-N
Literature Reference Author S.F.BRADY,S.A.WRIGHT,J.C.LEE,A.E.SUTTON,C.H.ZUMOFF,R.S.WODZI NSKI,S.V.BEER,J.CLAR
Literature Reference Citation J.AM.CHEM.SOC.,121,11912(1999)
Literature Reference DOI 10.1021/ja992790m
Molecular Weight 295.310 g/mol
Solvent D2O
Source File Reference UWSI1003