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rac-2,2'-Di-(2-hydroxybenzyl)-6,6',7,7'-tetramethoxy-1,1',2,2',3,3',4,4',octahydro-1,1'bisisoquinoline
SpectraBase Compound ID 242SnauPyCp
InChI InChI=1S/C36H40N2O6/c1-41-31-17-23-13-15-37(21-25-9-5-7-11-29(25)39)35(27(23)19-33(31)43-3)36-28-20-34(44-4)32(42-2)18-24(28)14-16-38(36)22-26-10-6-8-12-30(26)40/h5-12,17-20,35-36,39-40H,13-16,21-22H2,1-4H3/t35-,36-/m0/s1
InChIKey CMGASFSKWSATMH-ZPGRZCPFSA-N
Mol Weight 596.7 g/mol
Molecular Formula C36H40N2O6
Exact Mass 596.288637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hm3vrgCPdfD
Name rac-2,2'-Di-(2-hydroxybenzyl)-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 C36H40N2O6
InChI InChI=1S/C36H40N2O6/c1-41-31-17-23-13-15-37(21-25-9-5-7-11-29(25)39)35(27(23)19-33(31)43-3)36-28-20-34(44-4)32(42-2)18-24(28)14-16-38(36)22-26-10-6-8-12-30(26)40/h5-12,17-20,35-36,39-40H,13-16,21-22H2,1-4H3/t35-,36-/m0/s1
InChIKey CMGASFSKWSATMH-ZPGRZCPFSA-N
Molecular Weight 596.724 g/mol
SMILES Oc1c(CN2[C@]([C@]3(N(Cc4c(cccc4)O)CCc4c3cc(c(c4)OC)OC)[H])(c3c(CC2)cc(c(c3)OC)OC)[H])cccc1
SPLASH splash10-0002-0000090000-039cf0218ae663f86e6e
Source of Spectrum F-59-468-21
Wiley ID 1676741