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10-(METHOXYCARBONYL)-9H-PYRROLO-2,1-D]-THIAZOLO-[3,2-A]-[1,5]-BENZODIAZEPIN-5-IUM-BROMIDE
SpectraBase Compound ID DHR4rYdslnh
InChI InChI=1S/C16H13N2O2S.BrH/c1-20-16(19)11-6-7-17-12-4-2-3-5-13(12)18-8-9-21-15(18)10-14(11)17;/h2-9H,10H2,1H3;1H/q+1;/p-1
InChIKey ARHWCMYSDOGVRY-UHFFFAOYSA-M
Mol Weight 377.26 g/mol
Molecular Formula C16H13BrN2O2S
Exact Mass 375.988112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 628gR6740U0
Name 10-(METHOXYCARBONYL)-9H-PYRROLO-2,1-D]-THIAZOLO-[3,2-A]-[1,5]-BENZODIAZEPIN-5-IUM-BROMIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H13BrN2O2S
InChI InChI=1S/C16H13N2O2S.BrH/c1-20-16(19)11-6-7-17-12-4-2-3-5-13(12)18-8-9-21-15(18)10-14(11)17;/h2-9H,10H2,1H3;1H/q+1;/p-1
InChIKey ARHWCMYSDOGVRY-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 377.255 g/mol
Sample ID 67619
Solvent CD3OD