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rac-2,2'-Di-((1-phenylethyl)aminocarbonyl)-6,6',7,7'-tetramethoxy-1,1',2,2',3,3',4,4',octahydro-1,1'bisisoquinoline
SpectraBase Compound ID KcwVBZlZvqX
InChI InChI=1S/C40H46N4O6/c1-25(27-13-9-7-10-14-27)41-39(45)43-19-17-29-21-33(47-3)35(49-5)23-31(29)37(43)38-32-24-36(50-6)34(48-4)22-30(32)18-20-44(38)40(46)42-26(2)28-15-11-8-12-16-28/h7-16,21-26,37-38H,17-20H2,1-6H3,(H,41,45)(H,42,46)/t25-,26-,37+,38+/m1/s1
InChIKey SJFKFQMWJVWOTJ-CJJNOYDUSA-N
Mol Weight 678.8 g/mol
Molecular Formula C40H46N4O6
Exact Mass 678.341735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pyMwkbStDn
Name rac-2,2'-Di-((1-phenylethyl)aminocarbonyl)-6,6',7,7'-tetramethoxy-1,1',2,2',3,3',4,4',octahydro-1,1'bisisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H46N4O6
InChI InChI=1S/C40H46N4O6/c1-25(27-13-9-7-10-14-27)41-39(45)43-19-17-29-21-33(47-3)35(49-5)23-31(29)37(43)38-32-24-36(50-6)34(48-4)22-30(32)18-20-44(38)40(46)42-26(2)28-15-11-8-12-16-28/h7-16,21-26,37-38H,17-20H2,1-6H3,(H,41,45)(H,42,46)/t25-,26-,37+,38+/m1/s1
InChIKey SJFKFQMWJVWOTJ-CJJNOYDUSA-N
Molecular Weight 678.830 g/mol
SMILES N(C(N1[C@]([C@]2(N(C(N[C@@](c3ccccc3)(C)[H])=O)CCc3cc(c(cc23)OC)OC)[H])(c2c(CC1)cc(c(c2)OC)OC)[H])=O)[C@@](c1ccccc1)(C)[H]
SPLASH splash10-0006-0900002000-aa5b3b62e6f53704e890
Source of Spectrum F-59-467-11
Wiley ID 1676744