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TRANS-6A-ALPHA-12-ALPHA-(PARA-TOLYL)-1,2,3,4,5,6A,7,8,9,10,10A,12-DODECAHYDROBENZIMIDAZO-[2,1-B]-QUINAZOLINE-HYDROCHLORIDE

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TRANS-6A-ALPHA-12-ALPHA-(PARA-TOLYL)-1,2,3,4,5,6A,7,8,9,10,10A,12-DODECAHYDROBENZIMIDAZO-[2,1-B]-QUINAZOLINE-HYDROCHLORIDE
SpectraBase Compound ID 80Wa4nldEaR
InChI InChI=1S/C21H27N3.ClH/c1-14-10-12-15(13-11-14)20-16-6-2-3-7-17(16)22-21-23-18-8-4-5-9-19(18)24(20)21;/h10-13,18-20H,2-9H2,1H3,(H,22,23);1H/t18-,19-,20+;/m0./s1
InChIKey ALRZFTAXJINPLB-WFBUOHSLSA-N
Mol Weight 357.93 g/mol
Molecular Formula C21H28ClN3
Exact Mass 357.197176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pDv8ra6K73
Name TRANS-6A-ALPHA-12-ALPHA-(PARA-TOLYL)-1,2,3,4,5,6A,7,8,9,10,10A,12-DODECAHYDROBENZIMIDAZO-[2,1-B]-QUINAZOLINE-HYDROCHLORIDE
Compound Number 4DC*HCL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28ClN3
InChI InChI=1S/C21H27N3.ClH/c1-14-10-12-15(13-11-14)20-16-6-2-3-7-17(16)22-21-23-18-8-4-5-9-19(18)24(20)21;/h10-13,18-20H,2-9H2,1H3,(H,22,23);1H/t18-,19-,20+;/m0./s1
InChIKey ALRZFTAXJINPLB-WFBUOHSLSA-N
Literature Reference Author W.WENDELIN,E.GOESSNITZER,D.A.E.ELLA
Literature Reference Citation MH.CHEM.,131,353(2000)
Literature Reference DOI 10.1007/s007060050317
Molecular Weight 357.926 g/mol
Solvent DMSO-D6
Source File Reference UWRU1267