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4,5-DIHYDRO-5-METHYLTHIAZOLO-[2,3-D]-[1,5]-BENZOTHIAZEPINIUM-BROMIDE
SpectraBase Compound ID 57VoIa9pSVt
InChI InChI=1S/C12H12NS2.BrH/c1-9-8-12-13(6-7-14-12)10-4-2-3-5-11(10)15-9;/h2-7,9H,8H2,1H3;1H/q+1;/p-1/t9-;/m0./s1
InChIKey BVQVZKRZBHUZRP-FVGYRXGTSA-M
Mol Weight 314.26 g/mol
Molecular Formula C12H12BrNS2
Exact Mass 312.959455 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GKTAbkmnSd2
Name 4,5-DIHYDRO-5-METHYLTHIAZOLO-[2,3-D]-[1,5]-BENZOTHIAZEPINIUM-BROMIDE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12BrNS2
InChI InChI=1S/C12H12NS2.BrH/c1-9-8-12-13(6-7-14-12)10-4-2-3-5-11(10)15-9;/h2-7,9H,8H2,1H3;1H/q+1;/p-1/t9-;/m0./s1
InChIKey BVQVZKRZBHUZRP-FVGYRXGTSA-M
Literature Reference Author G.BRUNO,A.CHIMIRRI,R.GITTO,S.GRASSO,F.NICOLO,R.SCOPELLITI,M. ZAPPALA
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2211(1997)
Literature Reference DOI 10.1039/a701539i
Molecular Weight 314.258 g/mol
Solvent CD3OD