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PSAMMAPLYSENE_C;CIS_ISOMER;(2-Z)-3-{3-BROMO-4-[3-(DIMETHYLAMINO)-PROPOXY]-PHENYL}-N-(3-{2,6-DIBROMO-4-[2-(DIMETHYLAMINO)-ETHYL]
SpectraBase Compound ID Jo49JBB7wcC
InChI InChI=1S/C28H38Br3N3O3/c1-32(2)13-6-16-36-26-10-8-21(18-23(26)29)9-11-27(35)34(5)14-7-17-37-28-24(30)19-22(20-25(28)31)12-15-33(3)4/h8-11,18-20H,6-7,12-17H2,1-5H3/b11-9-
InChIKey AWJCEHBDNXBPBM-LUAWRHEFSA-N
Mol Weight 704.3 g/mol
Molecular Formula C28H38Br3N3O3
Exact Mass 701.046331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HbGKZedSP9Y
Name PSAMMAPLYSENE_C;CIS_ISOMER;(2-Z)-3-{3-BROMO-4-[3-(DIMETHYLAMINO)-PROPOXY]-PHENYL}-N-(3-{2,6-DIBROMO-4-[2-(DIMETHYLAMINO)-ETHYL]
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H38Br3N3O3
InChI InChI=1S/C28H38Br3N3O3/c1-32(2)13-6-16-36-26-10-8-21(18-23(26)29)9-11-27(35)34(5)14-7-17-37-28-24(30)19-22(20-25(28)31)12-15-33(3)4/h8-11,18-20H,6-7,12-17H2,1-5H3/b11-9-
InChIKey AWJCEHBDNXBPBM-LUAWRHEFSA-N
Literature Reference Author M.S.BUCHANAN,A.R.CARROLL,R.ADDEPALLI,V.M.AVERY,J.N.A.HOOPER, R.J.QUINN
Literature Reference Citation J.NAT.PROD.,70,1827(2007)
Literature Reference DOI 10.1021/np0703646
Molecular Weight 704.340 g/mol
Sample ID 31098
Solvent DMSO-D6