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1,4-DIMETHYL-6-CARBONYL-4H,5H,6H-THIAZOLO-[3,2-A]-[1,5]-BENZODIAZEPIN-11-IUM-CHLORIDE;ROTAMER-1
SpectraBase Compound ID LN1pCYMRVP6
InChI InChI=1S/C14H15N2OS.ClH/c1-10-7-15(9-17)12-5-3-4-6-13(12)16-11(2)8-18-14(10)16;/h3-6,8-10H,7H2,1-2H3;1H/q+1;/p-1
InChIKey UEZZATJSWLWCPB-UHFFFAOYSA-M
Mol Weight 294.8 g/mol
Molecular Formula C14H15ClN2OS
Exact Mass 294.059362 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8fwtDtxu795
Name 1,4-DIMETHYL-6-CARBONYL-4H,5H,6H-THIAZOLO-[3,2-A]-[1,5]-BENZODIAZEPIN-11-IUM-CHLORIDE;ROTAMER-1
Compound Number 2F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H15ClN2OS
InChI InChI=1S/C14H15N2OS.ClH/c1-10-7-15(9-17)12-5-3-4-6-13(12)16-11(2)8-18-14(10)16;/h3-6,8-10H,7H2,1-2H3;1H/q+1;/p-1
InChIKey UEZZATJSWLWCPB-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 294.799 g/mol
Sample ID 67614
Solvent CDCl3