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O,O-Diethylthalirugine
SpectraBase Compound ID E6Qv4HWSEo2
InChI InChI=1S/C42H52N2O7/c1-9-49-38-25-32-29(24-37(38)46-6)17-19-43(3)34(32)22-28-13-16-36(45-5)39(23-28)51-30-14-11-27(12-15-30)21-35-33-26-40(47-7)42(48-8)41(50-10-2)31(33)18-20-44(35)4/h11-16,23-26,34-35H,9-10,17-22H2,1-8H3
InChIKey DHPPIXRPMIFBEL-UHFFFAOYSA-N
Mol Weight 696.9 g/mol
Molecular Formula C42H52N2O7
Exact Mass 696.377452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53XAToNfmoa
Name O,O-Diethylthalirugine
Alternate Name(s) 5-Ethoxy-1-(4-{5-[(7-ethoxy-6-methoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-2-methoxyphenoxy}benzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
CAS Registry Number 64215-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H52N2O7
InChI InChI=1S/C42H52N2O7/c1-9-49-38-25-32-29(24-37(38)46-6)17-19-43(3)34(32)22-28-13-16-36(45-5)39(23-28)51-30-14-11-27(12-15-30)21-35-33-26-40(47-7)42(48-8)41(50-10-2)31(33)18-20-44(35)4/h11-16,23-26,34-35H,9-10,17-22H2,1-8H3
InChIKey DHPPIXRPMIFBEL-UHFFFAOYSA-N
Molecular Weight 696.885 g/mol
SMILES c12c(c(OCC)c(c(c2)OC)OC)CCN(C1Cc1ccc(Oc2c(ccc(CC3c4c(cc(c(c4)OCC)OC)CCN3C)c2)OC)cc1)C
SPLASH splash10-006x-0890000000-07c511115f78b94542b0
Source of Spectrum J-43-585-0
Wiley ID 1414947