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8-CHLORO-4,5-DIHYDRO-5-METHYL-1-PHENYL-S-TRIAZOLO-[3,4-D]-[1,5]-BENZOTHIAZEPINE;MAJOR-ISOMER
SpectraBase Compound ID BOvzK2SZwp3
InChI InChI=1S/C17H14ClN3S/c1-11-9-16-19-20-17(12-5-3-2-4-6-12)21(16)14-8-7-13(18)10-15(14)22-11/h2-8,10-11H,9H2,1H3
InChIKey OQSARWJSDYSVII-UHFFFAOYSA-N
Mol Weight 327.83 g/mol
Molecular Formula C17H14ClN3S
Exact Mass 327.059696 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BRQih2hxGpc
Name 8-CHLORO-4,5-DIHYDRO-5-METHYL-1-PHENYL-S-TRIAZOLO-[3,4-D]-[1,5]-BENZOTHIAZEPINE;MINOR-ISOMER
Compound Number 1C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14ClN3S
InChI InChI=1S/C17H14ClN3S/c1-11-9-16-19-20-17(12-5-3-2-4-6-12)21(16)14-8-7-13(18)10-15(14)22-11/h2-8,10-11H,9H2,1H3
InChIKey OQSARWJSDYSVII-UHFFFAOYSA-N
Literature Reference Author V.AMBROGI,G.GRANDOLINI,L.PERIOLI,M.KAJTAR-PEREDY,L.RADICS
Literature Reference Citation J.HETCYCL.CHEM.,31,1349(1994)
Literature Reference DOI 10.1002/jhet.5570310609
Molecular Weight 327.831 g/mol
Solvent CDCl3
Source File Reference UWCS16608