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11,12,13-TRIMETHOXY-3-METHYLTHIO-8,9-DIHYDRO-DIBENZO-[B,D]-TETRAZOLO-[5,4-H]-AZOCINE
SpectraBase Compound ID AiTFrTpYKQ2
InChI InChI=1S/C19H20N4O3S/c1-24-15-9-11-5-8-16-20-21-22-23(16)14-10-12(27-4)6-7-13(14)17(11)19(26-3)18(15)25-2/h6-7,9-10H,5,8H2,1-4H3
InChIKey CHXLIVVYGNZQJI-UHFFFAOYSA-N
Mol Weight 384.45 g/mol
Molecular Formula C19H20N4O3S
Exact Mass 384.125612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 70lEFuu0Peg
Name 11,12,13-TRIMETHOXY-3-METHYLTHIO-8,9-DIHYDRO-DIBENZO-[B,D]-TETRAZOLO-[5,4-H]-AZOCINE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20N4O3S
InChI InChI=1S/C19H20N4O3S/c1-24-15-9-11-5-8-16-20-21-22-23(16)14-10-12(27-4)6-7-13(14)17(11)19(26-3)18(15)25-2/h6-7,9-10H,5,8H2,1-4H3
InChIKey CHXLIVVYGNZQJI-UHFFFAOYSA-N
Literature Reference Author S.BERGEMANN,R.BRECHT,F.BUETTNER,D.GUENARD,R.GUST,G.SEITZ,M.T .STUBBS,S.THORET
Literature Reference Citation BIOORG.MED.CHEM.,11,1269(2003)
Literature Reference DOI 10.1016/S0968-0896(02)00639-9
Molecular Weight 384.453 g/mol
Sample ID 29049
Solvent CD2Cl2