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1-CHLOROMETHYL-4,5-DIHYDRO-5-METHYL-S-TRIAZOLO-[3,4-D]-[1,5]-BENZOTHIAZEPINE;MAJOR-ISOMER
SpectraBase Compound ID 2HRQ6Sx46M4
InChI InChI=1S/C12H12ClN3S/c1-8-6-11-14-15-12(7-13)16(11)9-4-2-3-5-10(9)17-8/h2-5,8H,6-7H2,1H3
InChIKey NWWUJJINBCUNST-UHFFFAOYSA-N
Mol Weight 265.76 g/mol
Molecular Formula C12H12ClN3S
Exact Mass 265.044046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 12EoYKJko1r
Name 1-CHLOROMETHYL-4,5-DIHYDRO-5-METHYL-S-TRIAZOLO-[3,4-D]-[1,5]-BENZOTHIAZEPINE;MINOR-ISOMER
Compound Number 1E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12ClN3S
InChI InChI=1S/C12H12ClN3S/c1-8-6-11-14-15-12(7-13)16(11)9-4-2-3-5-10(9)17-8/h2-5,8H,6-7H2,1H3
InChIKey NWWUJJINBCUNST-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 265.760 g/mol
Solvent CDCl3
Source File Reference UWCS16612