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5,6-Dihydrotetrazolo[1,5-d][1,4]benzothiazepine
SpectraBase Compound ID Gawhd1AwGhp
InChI InChI=1S/C9H8N4S/c1-2-4-8-7(3-1)9-10-11-12-13(9)5-6-14-8/h1-4H,5-6H2
InChIKey HRIGEULLDYYVRX-UHFFFAOYSA-N
Mol Weight 204.25 g/mol
Molecular Formula C9H8N4S
Exact Mass 204.046967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aj8DXt0TsZ3
Name 5,6-dihydrotetrazolo[1,5-d][1,4]benzothiazepine
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8N4S
InChI InChI=1S/C9H8N4S/c1-2-4-8-7(3-1)9-10-11-12-13(9)5-6-14-8/h1-4H,5-6H2
InChIKey HRIGEULLDYYVRX-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 204.249 g/mol
Solvent CDCl3
Source File Reference UWRU1549