John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HAHLAOHeJKb SpectraBase Spectrum ID=2w6Op6Q34VH

(accessed ).
SECURAMINE-D
SpectraBase Compound ID HAHLAOHeJKb
InChI InChI=1S/C20H18BrClN4O2/c1-18(2)14(22)9-19-12-8-16(27)25(19)6-5-15-20(18,24-17(28)23-15)26(19)13-7-10(21)3-4-11(12)13/h3-7,12,14H,8-9H2,1-2H3,(H,24,28)/t12-,14+,19+,20+/m1/s1
InChIKey JEVYNKSHGQMDPV-FINPGKJESA-N
Mol Weight 461.75 g/mol
Molecular Formula C20H18BrClN4O2
Exact Mass 460.030165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2w6Op6Q34VH
Name SECURAMINE-D
Compound Number 63
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18BrClN4O2
InChI InChI=1S/C20H18BrClN4O2/c1-18(2)14(22)9-19-12-8-16(27)25(19)6-5-15-20(18,24-17(28)23-15)26(19)13-7-10(21)3-4-11(12)13/h3-7,12,14H,8-9H2,1-2H3,(H,24,28)/t12-,14+,19+,20+/m1/s1
InChIKey JEVYNKSHGQMDPV-FINPGKJESA-N
Literature Reference Author P.M.PAULETTI,L.S.CINTRA,C.G.BRAGUINE,A.A.D.S.FILHO,M.L.A.E.S ILVA,W.R.CUNHA
Literature Reference Citation MAR.DRUGS,8,1526(2010)
Literature Reference DOI 10.3390/md8051526
Molecular Weight 461.746 g/mol
Source File Reference UWIR6257
SpectraBase Batch ID 2sGKebl7LwI