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O,O'-dibenzylhydroxytopsentin

View entire compound with spectra: 1 MS (GC)

O,O'-dibenzylhydroxytopsentin
SpectraBase Compound ID 7AeFLSMa2ep
InChI InChI=1S/C34H26N4O3/c39-33(29-18-36-31-16-25(12-14-27(29)31)41-21-23-9-5-2-6-10-23)34-37-19-32(38-34)28-17-35-30-15-24(11-13-26(28)30)40-20-22-7-3-1-4-8-22/h1-19,35-36H,20-21H2,(H,37,38)
InChIKey TYLRLBNQCCVYIC-UHFFFAOYSA-N
Mol Weight 538.6 g/mol
Molecular Formula C34H26N4O3
Exact Mass 538.200491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0EAFT8HnY1
Name O,O'-dibenzylhydroxytopsentin
Alternate Name(s) [6-(benzyloxy)-1H-indol-3-yl]{5-[6-(benzyloxy)-1H-indol-3-yl]-1H-imidazol-2-yl}methanone
CAS Registry Number 116725-97-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H26N4O3
InChI InChI=1S/C34H26N4O3/c39-33(29-18-36-31-16-25(12-14-27(29)31)41-21-23-9-5-2-6-10-23)34-37-19-32(38-34)28-17-35-30-15-24(11-13-26(28)30)40-20-22-7-3-1-4-8-22/h1-19,35-36H,20-21H2,(H,37,38)
InChIKey TYLRLBNQCCVYIC-UHFFFAOYSA-N
Molecular Weight 538.607 g/mol
SMILES [nH]1c(C(c2c[nH]c3c2ccc(c3)OCc2ccccc2)=O)ncc1-c1c[nH]c2c1ccc(c2)OCc1ccccc1
SPLASH splash10-000f-9640350000-c4a75458e7366a263930
Source of Spectrum J-53-5452-18
Wiley ID 1404389