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4,5-DIHYDRO-5-PHENYLTHIAZOLO-[2,3-D]-[1,5]-BENZOTHIAZEPINIUM-BROMIDE
SpectraBase Compound ID 5qkPFiLoViV
InChI InChI=1S/C17H14NS2.BrH/c1-2-6-13(7-3-1)16-12-17-18(10-11-19-17)14-8-4-5-9-15(14)20-16;/h1-11,16H,12H2;1H/q+1;/p-1/t16-;/m1./s1
InChIKey NFPATXYCFFLYAY-PKLMIRHRSA-M
Mol Weight 376.33 g/mol
Molecular Formula C17H14BrNS2
Exact Mass 374.975105 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1XbReyKbq0F
Name 4,5-DIHYDRO-5-PHENYLTHIAZOLO-[2,3-D]-[1,5]-BENZOTHIAZEPINIUM-BROMIDE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14BrNS2
InChI InChI=1S/C17H14NS2.BrH/c1-2-6-13(7-3-1)16-12-17-18(10-11-19-17)14-8-4-5-9-15(14)20-16;/h1-11,16H,12H2;1H/q+1;/p-1/t16-;/m1./s1
InChIKey NFPATXYCFFLYAY-PKLMIRHRSA-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 376.329 g/mol
Solvent CD3OD