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1-BENZYLOXYCARBONYL-1,4,7,10-TETRAAZACYCLODODECANE-TRIHYDROCHLORIDE
SpectraBase Compound ID DCrfJfiGDL2
InChI InChI=1S/C16H26N4O2.3ClH/c21-16(22-14-15-4-2-1-3-5-15)20-12-10-18-8-6-17-7-9-19-11-13-20;;;/h1-5,17-19H,6-14H2;3*1H
InChIKey JEMIKBFGSBXNGF-UHFFFAOYSA-N
Mol Weight 415.79 g/mol
Molecular Formula C16H29Cl3N4O2
Exact Mass 414.135609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4V6HI6Li9Wv
Name 1-BENZYLOXYCARBONYL-1,4,7,10-TETRAAZACYCLODODECANE-TRIHYDROCHLORIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H29Cl3N4O2
InChI InChI=1S/C16H26N4O2.3ClH/c21-16(22-14-15-4-2-1-3-5-15)20-12-10-18-8-6-17-7-9-19-11-13-20;;;/h1-5,17-19H,6-14H2;3*1H
InChIKey JEMIKBFGSBXNGF-UHFFFAOYSA-N
Literature Reference Author M.WOODS,G.E.KIEFER,S.BOTT,A.CASTILLO-MUZQUIZ,C.ESHELBRENNER, L.MICHAUDET,K.MCMILL
Literature Reference Citation J.AM.CHEM.SOC.,126,9248(2004)
Literature Reference DOI 10.1021/ja048299z
Molecular Weight 415.791 g/mol
Solvent CD3OD
Source File Reference UWMZ24362