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1-BrOMO-8-CHLORO-4,5-DIHYDRO-5-METHYL-S-TRIAZOLO-[3,4-D]-[1,5]-BENZOTHIAZEPINE;MAJOR-ISOMER
SpectraBase Compound ID 2Aip7DLUrmu
InChI InChI=1S/C11H9BrClN3S/c1-6-4-10-14-15-11(12)16(10)8-3-2-7(13)5-9(8)17-6/h2-3,5-6H,4H2,1H3
InChIKey KPYRKIHRUMVDBO-UHFFFAOYSA-N
Mol Weight 330.63 g/mol
Molecular Formula C11H9BrClN3S
Exact Mass 328.938909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ANbpNswXXkd
Name 1-BrOMO-8-CHLORO-4,5-DIHYDRO-5-METHYL-S-TRIAZOLO-[3,4-D]-[1,5]-BENZOTHIAZEPINE;MINOR-ISOMER
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H9BrClN3S
InChI InChI=1S/C11H9BrClN3S/c1-6-4-10-14-15-11(12)16(10)8-3-2-7(13)5-9(8)17-6/h2-3,5-6H,4H2,1H3
InChIKey KPYRKIHRUMVDBO-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 330.630 g/mol
Solvent CDCl3
Source File Reference UWCS16606