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2-ACETYL-1-METHYL-1,4-DIHYDRO-4H-PYRROLO-[2,3-B]-[1,4]-BENZOTHIAZINE
SpectraBase Compound ID CyRKEFPgJ6g
InChI InChI=1S/C13H12N2OS/c1-8(16)11-7-10-13(15(11)2)17-12-6-4-3-5-9(12)14-10/h3-7,14H,1-2H3
InChIKey DIJOIKKNAHLBDO-UHFFFAOYSA-N
Mol Weight 244.31 g/mol
Molecular Formula C13H12N2OS
Exact Mass 244.067034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J7ny121chyv
Name 2-ACETYL-1-METHYL-1,4-DIHYDRO-4H-PYRROLO-[2,3-B]-[1,4]-BENZOTHIAZINE
Compound Number 11A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12N2OS
InChI InChI=1S/C13H12N2OS/c1-8(16)11-7-10-13(15(11)2)17-12-6-4-3-5-9(12)14-10/h3-7,14H,1-2H3
InChIKey DIJOIKKNAHLBDO-UHFFFAOYSA-N
Literature Reference Author P.DIANA,A.PASSANNANTI,P.BARRAJA,A.LAURIA,G.CIRRINCIONE
Literature Reference Citation HETEROCYCLES,51,2103(1999)
Literature Reference DOI 10.3987/COM-99-8604
Molecular Weight 244.311 g/mol
Solvent DMSO-D6
Source File Reference UWSW139