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RRHQEDPPZYHENI-WDSKDSINSA-N
SpectraBase Compound ID 1Yqer4TpSMN
InChI InChI=1S/C9H13NO5S/c1-14-7(11)3-6-8(12)10-5(4-16-6)9(13)15-2/h5-6H,3-4H2,1-2H3,(H,10,12)/t5-,6-/m0/s1
InChIKey RRHQEDPPZYHENI-WDSKDSINSA-N
Mol Weight 247.26 g/mol
Molecular Formula C9H13NO5S
Exact Mass 247.051444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HBQl0cHc3Ym
Name RRHQEDPPZYHENI-WDSKDSINSA-N
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H13NO5S
InChI InChI=1S/C9H13NO5S/c1-14-7(11)3-6-8(12)10-5(4-16-6)9(13)15-2/h5-6H,3-4H2,1-2H3,(H,10,12)/t5-,6-/m0/s1
InChIKey RRHQEDPPZYHENI-WDSKDSINSA-N
Literature Reference Author G.CARR,D.E.WILLIAMS,A.R.DIAZ-MARRERO,B.O.PATRICK,H.BOTTRIELL ,A.D.BALGI,E.DONOHUE
Literature Reference Citation J.NAT.PROD.,73,422(2010)
Literature Reference DOI 10.1021/np900632r
Molecular Weight 247.266 g/mol
Sample ID 35095
Solvent CD3OD