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CIS-4,5-DIHYDRO-4-ETHOXYCARBONYL-5-METHYLTHIAZOLO-[2,3-D]-[1,5]-BENZOTHIAZEPINIUM-BROMIDE
SpectraBase Compound ID I2cVmeLnPzD
InChI InChI=1S/C15H16NO2S2.BrH/c1-3-18-15(17)13-10(2)20-12-7-5-4-6-11(12)16-8-9-19-14(13)16;/h4-10,13H,3H2,1-2H3;1H/q+1;/p-1/t10-,13+;/m0./s1
InChIKey WICAPCCNRGZCMK-SMDQHNSPSA-M
Mol Weight 386.32 g/mol
Molecular Formula C15H16BrNO2S2
Exact Mass 384.980584 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I5yKuzGpYUZ
Name CIS-4,5-DIHYDRO-4-ETHOXYCARBONYL-5-METHYLTHIAZOLO-[2,3-D]-[1,5]-BENZOTHIAZEPINIUM-BROMIDE
Compound Number 11-CIS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H16BrNO2S2
InChI InChI=1S/C15H16NO2S2.BrH/c1-3-18-15(17)13-10(2)20-12-7-5-4-6-11(12)16-8-9-19-14(13)16;/h4-10,13H,3H2,1-2H3;1H/q+1;/p-1/t10-,13+;/m0./s1
InChIKey WICAPCCNRGZCMK-SMDQHNSPSA-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 386.322 g/mol
Solvent CDCl3