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2,3-dihydro-1,4-benzothiazepin-5(4H)-one

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2,3-dihydro-1,4-benzothiazepin-5(4H)-one
SpectraBase Compound ID 6rKb3o7iE2C
InChI InChI=1S/C9H9NOS/c11-9-7-3-1-2-4-8(7)12-6-5-10-9/h1-4H,5-6H2,(H,10,11)
InChIKey FSBGEQZKWJSKIW-UHFFFAOYSA-N
Mol Weight 179.24 g/mol
Molecular Formula C9H9NOS
Exact Mass 179.040485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AUpFKffY0lB
Name FSBGEQZKWJSKIW-UHFFFAOYSA-N
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9NOS
InChI InChI=1S/C9H9NOS/c11-9-7-3-1-2-4-8(7)12-6-5-10-9/h1-4H,5-6H2,(H,10,11)
InChIKey FSBGEQZKWJSKIW-UHFFFAOYSA-N
Literature Reference Author M.J.MPHAHLELE,P.T.KAYE
Literature Reference Citation MAGN.RES.CHEM.,36,69(1998)
Literature Reference DOI 10.1002/(sici)1097-458x(199801)36:1<69::aid-omr219>3.0.co;2-s
Molecular Weight 179.237 g/mol
Solvent CDCl3
Source File Reference UWRU1543