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ANCORINOLATE-C

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ANCORINOLATE-C
SpectraBase Compound ID F0HfKmdYtdK
InChI InChI=1S/C8H6ClNO5S.Na/c9-7-4-1-2-10(16(13,14)15)5(4)3-6(11)8(7)12;/h1-3,11-12H,(H,13,14,15);/q;+1/p-1
InChIKey ZTWPVFRUZWERPA-UHFFFAOYSA-M
Mol Weight 285.63 g/mol
Molecular Formula C8H5ClNNaO5S
Exact Mass 284.947465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A1mroR01Nqc
Name ANCORINOLATE-C
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H5ClNNaO5S
InChI InChI=1S/C8H6ClNO5S.Na/c9-7-4-1-2-10(16(13,14)15)5(4)3-6(11)8(7)12;/h1-3,11-12H,(H,13,14,15);/q;+1/p-1
InChIKey ZTWPVFRUZWERPA-UHFFFAOYSA-M
Literature Reference Author K.M.MARAGELMAN,L.M.WEST,P.T.NORTHCOTE,L.K.PANNEL,T.C.MCKEE,M .R.BOYD
Literature Reference Citation J.ORG.CHEM.,67,6671(2002)
Literature Reference DOI 10.1021/jo020120k
Molecular Weight 285.634 g/mol
Solvent DMSO-D6
Source File Reference UWMS24956