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SECURAMINE-B

View entire compound with spectra: 1 NMR

SECURAMINE-B
SpectraBase Compound ID BwQALierS0Y
InChI InChI=1S/C20H19Br2ClN4O/c1-19(2)15(23)9-20-12(11-4-3-10(21)7-14(11)26-20)8-16(28)27(20)6-5-13-17(19)25-18(22)24-13/h3-7,12,15,26H,8-9H2,1-2H3,(H,24,25)/b6-5-
InChIKey XRFAXSYCYALISO-WAYWQWQTSA-N
Mol Weight 526.66 g/mol
Molecular Formula C20H19Br2ClN4O
Exact Mass 523.961415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 32z03zPuJhC
Name SECURAMINE-B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H19Br2ClN4O
InChI InChI=1S/C20H19Br2ClN4O/c1-19(2)15(23)9-20-12(11-4-3-10(21)7-14(11)26-20)8-16(28)27(20)6-5-13-17(19)25-18(22)24-13/h3-7,12,15,26H,8-9H2,1-2H3,(H,24,25)/b6-5-
InChIKey XRFAXSYCYALISO-WAYWQWQTSA-N
Literature Reference Author L.RAHBAEK,U.ANTHONI,C.CHRISTOPHERSEN,P.H.NIELSEN,B.O.PETERSE N
Literature Reference Citation J.ORG.CHEM.,61,887(1996)
Literature Reference DOI 10.1021/jo951527a
Molecular Weight 526.658 g/mol
Solvent CDCl3
Source File Reference UWGE1607