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PLHVJUCFEQIONO-UHFFFAOYSA-N

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PLHVJUCFEQIONO-UHFFFAOYSA-N
SpectraBase Compound ID AMxfEzCLjGN
InChI InChI=1S/C9H8N2O3S/c1-15-8-5-3-2-4-6(11(13)14)7(5)10-9(8)12/h2-4,8H,1H3,(H,10,12)
InChIKey PLHVJUCFEQIONO-UHFFFAOYSA-N
Mol Weight 224.23 g/mol
Molecular Formula C9H8N2O3S
Exact Mass 224.025563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6zNZTbkjRwz
Name 7-NITRO-3-METHYLTHIOOXINDOL
CAS Registry Number 61394-60-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8N2O3S
InChI InChI=1S/C9H8N2O3S/c1-15-8-5-3-2-4-6(11(13)14)7(5)10-9(8)12/h2-4,8H,1H3,(H,10,12)
InChIKey PLHVJUCFEQIONO-UHFFFAOYSA-N
Literature Reference Author P.G.GASSMANN,D.P.GILBERT,T.Y.LUH
Literature Reference Citation J.ORG.CHEM.,42,1340(1977)
Literature Reference DOI 10.1021/jo00428a015
Molecular Weight 224.234 g/mol
Solvent DMSO
Source File Reference UNIW9306