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Dimethyl-dehatridine

View entire compound with spectra: 1 MS (GC)

Dimethyl-dehatridine
SpectraBase Compound ID LQWQeJUdHCN
InChI InChI=1S/C37H36N2O6/c1-39-15-13-24-19-31(41-3)33-21-27(24)29(39)17-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)40-2)16-28-35-25(12-14-38-28)20-34(42-4)36(43-5)37(35)45-33/h6-12,14,18-21,29H,13,15-17H2,1-5H3/t29-/m0/s1
InChIKey KDRLRBVLTLJWAY-LJAQVGFWSA-N
Mol Weight 604.7 g/mol
Molecular Formula C37H36N2O6
Exact Mass 604.257337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mbmerjQwR1
Name Dimethyl-dehatridine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H36N2O6
InChI InChI=1S/C37H36N2O6/c1-39-15-13-24-19-31(41-3)33-21-27(24)29(39)17-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)40-2)16-28-35-25(12-14-38-28)20-34(42-4)36(43-5)37(35)45-33/h6-12,14,18-21,29H,13,15-17H2,1-5H3/t29-/m0/s1
InChIKey KDRLRBVLTLJWAY-LJAQVGFWSA-N
Molecular Weight 604.703 g/mol
SMILES c12Oc3cc4[C@@](N(C)CCc4cc3OC)(Cc3ccc(Oc4cc(Cc5c2c(ccn5)cc(c1OC)OC)ccc4OC)cc3)[H]
SPLASH splash10-0udi-0000009000-8b245d89f96de036614d
Source of Spectrum X2-54-664-287
Wiley ID 1604061