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3,6-DIMETHYL-8-HYDROXY-2H,5H-PYRIDO-[3,2-F]-[1,4]-THIAZEPIN-5-ONE
SpectraBase Compound ID IF2ht42HB2
InChI InChI=1S/C10H10N2O2S/c1-5-3-7(13)12-10-8(5)9(14)11-6(2)4-15-10/h3H,4H2,1-2H3,(H,12,13)
InChIKey KHQAFKOYGIGTQR-UHFFFAOYSA-N
Mol Weight 222.26 g/mol
Molecular Formula C10H10N2O2S
Exact Mass 222.046299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CVjuFxKeFxo
Name 3,6-DIMETHYL-8-HYDROXY-2H,5H-PYRIDO-[3,2-F]-[1,4]-THIAZEPIN-5-ONE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H10N2O2S
InChI InChI=1S/C10H10N2O2S/c1-5-3-7(13)12-10-8(5)9(14)11-6(2)4-15-10/h3H,4H2,1-2H3,(H,12,13)
InChIKey KHQAFKOYGIGTQR-UHFFFAOYSA-N
Literature Reference Author R.M.FATY,M.M.YOUSSEF,A.M.S.YOUSSEF
Literature Reference Citation MOLECULES,16,4549(2011)
Literature Reference DOI 10.3390/molecules16064549
Molecular Weight 222.262 g/mol
Sample ID 210
Solvent DMSO-D6