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DL-N,N',N''-(Methylidenetri-4,1-phenylene)tris[2-phenyl-2-[(thiobenzoyl)thio]acetamide]
SpectraBase Compound ID 83huLXqAwbN
InChI InChI=1S/C64H49N3O3S6/c68-59(56(46-19-7-1-8-20-46)74-62(71)49-25-13-4-14-26-49)65-52-37-31-43(32-38-52)55(44-33-39-53(40-34-44)66-60(69)57(47-21-9-2-10-22-47)75-63(72)50-27-15-5-16-28-50)45-35-41-54(42-36-45)67-61(70)58(48-23-11-3-12-24-48)76-64(73)51-29-17-6-18-30-51/h1-42,55-58H,(H,65,68)(H,66,69)(H,67,70)
InChIKey MBYPXFFKNOKXQB-UHFFFAOYSA-N
Mol Weight 1100.5 g/mol
Molecular Formula C64H49N3O3S6
Exact Mass 1099.209819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2DjsowEanV
Name DL-N,N',N''-(Methylidenetri-4,1-phenylene)tris[2-phenyl-2-[(thiobenzoyl)thio]acetamide]
Alternate Name(s) ((methanetriyltris(benzene-4,1-diyl))tris(azanediyl))tris(2-oxo-1-phenylethane-2,1-diyl) tribenzodithioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C64H49N3O3S6
InChI InChI=1S/C64H49N3O3S6/c68-59(56(46-19-7-1-8-20-46)74-62(71)49-25-13-4-14-26-49)65-52-37-31-43(32-38-52)55(44-33-39-53(40-34-44)66-60(69)57(47-21-9-2-10-22-47)75-63(72)50-27-15-5-16-28-50)45-35-41-54(42-36-45)67-61(70)58(48-23-11-3-12-24-48)76-64(73)51-29-17-6-18-30-51/h1-42,55-58H,(H,65,68)(H,66,69)(H,67,70)
InChIKey MBYPXFFKNOKXQB-UHFFFAOYSA-N
Molecular Weight 1100.474 g/mol
SMILES N(c1ccc(C(c2ccc(cc2)NC(=O)C(c2ccccc2)SC(=S)c2ccccc2)c2ccc(NC(=O)C(c3ccccc3)SC(=S)c3ccccc3)cc2)cc1)C(=O)C(c1ccccc1)SC(=S)c1ccccc1
SPLASH splash10-04c0-0944000000-e83082efb00ce7e72b14
Source of Spectrum K-120-1021-8
Wiley ID 1792981