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TRANS-4,5-DIHYDRO-4-ETHOXYCARBONYL-5-PHENYLTHIAZOLO-[2,3-D]-[1,5]-BENZOTHIAZEPINIUM-BROMIDE
SpectraBase Compound ID ne205sblcU
InChI InChI=1S/C20H18NO2S2.BrH/c1-2-23-20(22)17-18(14-8-4-3-5-9-14)25-16-11-7-6-10-15(16)21-12-13-24-19(17)21;/h3-13,17-18H,2H2,1H3;1H/q+1;/p-1/t17-,18-;/m0./s1
InChIKey NZPBXNNXAGEIKL-APTPAJQOSA-M
Mol Weight 448.39 g/mol
Molecular Formula C20H18BrNO2S2
Exact Mass 446.996234 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ClauT31lmiv
Name TRANS-4,5-DIHYDRO-4-ETHOXYCARBONYL-5-PHENYLTHIAZOLO-[2,3-D]-[1,5]-BENZOTHIAZEPINIUM-BROMIDE
Compound Number 12-T RANS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18BrNO2S2
InChI InChI=1S/C20H18NO2S2.BrH/c1-2-23-20(22)17-18(14-8-4-3-5-9-14)25-16-11-7-6-10-15(16)21-12-13-24-19(17)21;/h3-13,17-18H,2H2,1H3;1H/q+1;/p-1/t17-,18-;/m0./s1
InChIKey NZPBXNNXAGEIKL-APTPAJQOSA-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 448.392 g/mol
Solvent CDCl3