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9,10[1',2']-Benzenoanthracene-1,8,13-tricarboxamide, 9,10-dihydro-N,N',N''-tris(4-hydroxyphenyl)-
SpectraBase Compound ID DyzAQ8nIDpz
InChI InChI=1S/C41H29N3O6/c45-25-16-10-22(11-17-25)42-39(48)31-7-1-4-28-34-29-5-2-8-32(40(49)43-23-12-18-26(46)19-13-23)36(29)38(35(28)31)37-30(34)6-3-9-33(37)41(50)44-24-14-20-27(47)21-15-24/h1-21,34,38,45-47H,(H,42,48)(H,43,49)(H,44,50)
InChIKey CCKHGMAKMGVBAI-UHFFFAOYSA-N
Mol Weight 659.7 g/mol
Molecular Formula C41H29N3O6
Exact Mass 659.205636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCMXOmoNdMM
Name 9,10[1',2']-Benzenoanthracene-1,8,13-tricarboxamide, 9,10-dihydro-N,N',N''-tris(4-hydroxyphenyl)-
Alternate Name(s) 9,10[1',2']-benzenoanthracene-1,8,13-tricarboxamide, 9,10-dihydro-N,N',N''-tris(4-hydroxyphenyl)- N(3),N(13),N(16)-tris(4-hydroxyphenyl)pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarboxamide N,N',N''-tris(4-hydroxyphenyl)-1,8,13-triptycenetricarboxamide
CAS Registry Number 103259-26-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H29N3O6
InChI InChI=1S/C41H29N3O6/c45-25-16-10-22(11-17-25)42-39(48)31-7-1-4-28-34-29-5-2-8-32(40(49)43-23-12-18-26(46)19-13-23)36(29)38(35(28)31)37-30(34)6-3-9-33(37)41(50)44-24-14-20-27(47)21-15-24/h1-21,34,38,45-47H,(H,42,48)(H,43,49)(H,44,50)
InChIKey CCKHGMAKMGVBAI-UHFFFAOYSA-N
Molecular Weight 659.698 g/mol
SMILES N(C(c1cccc2c1C1c3c(C(Nc4ccc(cc4)O)=O)cccc3C2c2c1c(C(Nc1ccc(cc1)O)=O)ccc2)=O)c1ccc(cc1)O
SPLASH splash10-0pc0-8930051000-ebb947e2f75cf8d78156
Source of Spectrum J-51-3314-21
Wiley ID 1413535