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5-ACETYL-7-METHYL-6,7,9,10,11,12-HEXAHYDRO-5H-[1,3]-BENZOTHIAZOLO-[3,2-A]-[1,5]-BENZODIAZEPIN-13-IUM-CHLORIDE
SpectraBase Compound ID 7D21sLx0I1S
InChI InChI=1S/C18H21N2OS.ClH/c1-12-11-19(13(2)21)14-7-3-4-8-15(14)20-16-9-5-6-10-17(16)22-18(12)20;/h3-4,7-8,12H,5-6,9-11H2,1-2H3;1H/q+1;/p-1
InChIKey ZJBXFZMZFHHIDA-UHFFFAOYSA-M
Mol Weight 348.89 g/mol
Molecular Formula C18H21ClN2OS
Exact Mass 348.106312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GAWSsL8kKsN
Name 5-ACETYL-7-METHYL-6,7,9,10,11,12-HEXAHYDRO-5H-[1,3]-BENZOTHIAZOLO-[3,2-A]-[1,5]-BENZODIAZEPIN-13-IUM-CHLORIDE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21ClN2OS
InChI InChI=1S/C18H21N2OS.ClH/c1-12-11-19(13(2)21)14-7-3-4-8-15(14)20-16-9-5-6-10-17(16)22-18(12)20;/h3-4,7-8,12H,5-6,9-11H2,1-2H3;1H/q+1;/p-1
InChIKey ZJBXFZMZFHHIDA-UHFFFAOYSA-M
Literature Reference Author R.JANCIENE,Z.STUMBREVICIUTE,D.PODENIENE,B.D.PUODZIUNAITE,S.B LACK,M.HUSBANDS
Literature Reference Citation J.HETCYCL.CHEM.,43,979(2006)
Literature Reference DOI 10.1002/jhet.5570430424
Molecular Weight 348.891 g/mol
Sample ID 67622
Solvent CDCl3