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LXHHYIATWVXXOV-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR

LXHHYIATWVXXOV-UHFFFAOYSA-N
SpectraBase Compound ID 3TSQIMBAJgY
InChI InChI=1S/C13H9NO2S/c1-8(15)9-6-7-12(16)14-10-4-2-3-5-11(10)17-13(9)14/h2-7H,1H3
InChIKey LXHHYIATWVXXOV-UHFFFAOYSA-N
Mol Weight 243.28 g/mol
Molecular Formula C13H9NO2S
Exact Mass 243.0354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID QhPB4sA9kJ
Name 4-ACETYL-1H-PYRIDO-[2.1-B]-BENZOTHIAZOL-1-ONE
CAS Registry Number 123150-36-7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H9NO2S
InChI InChI=1S/C13H9NO2S/c1-8(15)9-6-7-12(16)14-10-4-2-3-5-11(10)17-13(9)14/h2-7H,1H3
InChIKey LXHHYIATWVXXOV-UHFFFAOYSA-N
Literature Reference Author Z.T.HUANG,X.SHI
Literature Reference Citation CHEM.BER.,123,541(1990)
Literature Reference DOI 10.1002/cber.19901230321
Molecular Weight 243.280 g/mol
Solvent CDCl3
Source File Reference UWED10607