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BIS-[6-(5,6-DIHYDROCHELERYTHRINYL)]-AMINE

View entire compound with spectra: 3 NMR, and 1 MS (GC)

BIS-[6-(5,6-DIHYDROCHELERYTHRINYL)]-AMINE
SpectraBase Compound ID DaM3gpqrnxr
InChI InChI=1S/C42H37N3O8/c1-44-37-25(9-7-21-15-31-33(17-27(21)37)52-19-50-31)23-11-13-29(46-3)39(48-5)35(23)41(44)43-42-36-24(12-14-30(47-4)40(36)49-6)26-10-8-22-16-32-34(53-20-51-32)18-28(22)38(26)45(42)2/h7-18,41-43H,19-20H2,1-6H3
InChIKey OZEFMOJRNJPFRQ-UHFFFAOYSA-N
Mol Weight 711.8 g/mol
Molecular Formula C42H37N3O8
Exact Mass 711.258065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AG9x2Fm5AMu
Name bis[6-(5',6'-Dihydrocheleythrinyl)]-Amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H37N3O8
InChI InChI=1S/C42H37N3O8/c1-44-37-25(9-7-21-15-31-33(17-27(21)37)52-19-50-31)23-11-13-29(46-3)39(48-5)35(23)41(44)43-42-36-24(12-14-30(47-4)40(36)49-6)26-10-8-22-16-32-34(53-20-51-32)18-28(22)38(26)45(42)2/h7-18,41-43H,19-20H2,1-6H3
InChIKey OZEFMOJRNJPFRQ-UHFFFAOYSA-N
Molecular Weight 711.771 g/mol
SMILES N(C1c2c(ccc(c2OC)OC)-c2c(N1C)c1cc3OCOc3cc1cc2)C1c2c(ccc(c2OC)OC)-c2c(N1C)c1cc3OCOc3cc1cc2
SPLASH splash10-0002-0039000000-1c276638be0fa25312f0
Source of Spectrum X4-58-727-4
Synonyms N-(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-amine
Wiley ID 1605893