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3,6,9,12,13,16,19,22,25,26-DECAAZATRICYLCLO-[22.2.1.1(11,14)]-OCATCOSA-1(27),11,14(28),24-TETRAENE
SpectraBase Compound ID Ht8YwarQqf
InChI InChI=1S/C18H34N10.6ClH/c1-5-21-11-15-9-16(26-25-15)13-23-7-3-20-4-8-24-14-18-10-17(27-28-18)12-22-6-2-19-1;;;;;;/h9-10,19-24H,1-8,11-14H2,(H,25,26)(H,27,28);6*1H
InChIKey FMDPDCALJAYSJP-UHFFFAOYSA-N
Mol Weight 609.31 g/mol
Molecular Formula C18H40Cl6N10
Exact Mass 606.156858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LbKxyt4t7hB
Name 3,6,9,12,13,16,19,22,25,26-DECAAZATRICYLCLO-[22.2.1.1(11,14)]-OCATCOSA-1(27),11,14(28),24-TETRAENE
Compound Number 2.6HCL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H40Cl6N10
InChI InChI=1S/C18H34N10.6ClH/c1-5-21-11-15-9-16(26-25-15)13-23-7-3-20-4-8-24-14-18-10-17(27-28-18)12-22-6-2-19-1;;;;;;/h9-10,19-24H,1-8,11-14H2,(H,25,26)(H,27,28);6*1H
InChIKey FMDPDCALJAYSJP-UHFFFAOYSA-N
Literature Reference Author L.LAMARQUE,P.NAVARRO,C.MIRANDA,V.J.ARAN,C.OCHOA,F.ESCARTI,E. GARCIA-ESPANA,J.LATO
Literature Reference Citation J.AM.CHEM.SOC.,123,10560(2001)
Literature Reference DOI 10.1021/ja010956p
Molecular Weight 609.301 g/mol
Solvent D2O
Source File Reference UWLU32676