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4,5-DIHYDRO-1,5-DIMETHYLS-TRIAZOLO-[3,4-D]-[1,5]-BENZOTHIAZEPINE;MAJOR-ISOMER
SpectraBase Compound ID 9FnYAzh5VKE
InChI InChI=1S/C12H13N3S/c1-8-7-12-14-13-9(2)15(12)10-5-3-4-6-11(10)16-8/h3-6,8H,7H2,1-2H3
InChIKey WDYUZBRXMOKFKA-UHFFFAOYSA-N
Mol Weight 231.32 g/mol
Molecular Formula C12H13N3S
Exact Mass 231.083019 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BH6naLGfS8W
Name 4,5-DIHYDRO-1,5-DIMETHYLS-TRIAZOLO-[3,4-D]-[1,5]-BENZOTHIAZEPINE;MINOR-ISOMER
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13N3S
InChI InChI=1S/C12H13N3S/c1-8-7-12-14-13-9(2)15(12)10-5-3-4-6-11(10)16-8/h3-6,8H,7H2,1-2H3
InChIKey WDYUZBRXMOKFKA-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 231.315 g/mol
Solvent CDCl3
Source File Reference UWCS16610