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2-THIOMETHYL-4H-3,1-BENZOXAZIN-4-ONE

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2-THIOMETHYL-4H-3,1-BENZOXAZIN-4-ONE
SpectraBase Compound ID 5bi1qH92u1j
InChI InChI=1S/C9H7NO2S/c1-13-9-10-7-5-3-2-4-6(7)8(11)12-9/h2-5H,1H3
InChIKey KFSXSHARFWOYTD-UHFFFAOYSA-N
Mol Weight 193.22 g/mol
Molecular Formula C9H7NO2S
Exact Mass 193.01975 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMv5u01AKjj
Name 2-(METHYLTHIO)-4H-3,1-BENZOXAZIN-4-ONE
Compound Number 9I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H7NO2S
InChI InChI=1S/C9H7NO2S/c1-13-9-10-7-5-3-2-4-6(7)8(11)12-9/h2-5H,1H3
InChIKey KFSXSHARFWOYTD-UHFFFAOYSA-N
Literature Reference Author H.G.HAECKER,F.GRUNDMANN,F.LOHR,P.A.OTTERSBACH,J.ZHOU,G.SCHNA KENBURG,M.GUETSCHOW
Literature Reference Citation MOLECULES,14,378(2009)
Literature Reference DOI 10.3390/molecules14010378
Molecular Weight 193.220 g/mol
Sample ID 69079
Solvent CDCl3