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N,N',N''-Tris(4-methylphenyl)triptycene-1,8,16-tricarboxamide

View entire compound with spectra: 1 MS (GC)

N,N',N''-Tris(4-methylphenyl)triptycene-1,8,16-tricarboxamide
SpectraBase Compound ID 7tLb3tafMmr
InChI InChI=1S/C44H35N3O3/c1-25-13-19-28(20-14-25)45-42(48)34-10-6-9-33-38(34)37-31-7-4-11-35(43(49)46-29-21-15-26(2)16-22-29)39(31)41(33)40-32(37)8-5-12-36(40)44(50)47-30-23-17-27(3)18-24-30/h4-24,37,41H,1-3H3,(H,45,48)(H,46,49)(H,47,50)/t37-,41+
InChIKey DELCGLRBOHWZAR-JBVJVSTHSA-N
Mol Weight 653.8 g/mol
Molecular Formula C44H35N3O3
Exact Mass 653.267842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fu31Q7uvKCF
Name N,N',N''-Tris(4-methylphenyl)triptycene-1,8,16-tricarboxamide
CAS Registry Number 103259-25-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H35N3O3
InChI InChI=1S/C44H35N3O3/c1-25-13-19-28(20-14-25)45-42(48)34-10-6-9-33-38(34)37-31-7-4-11-35(43(49)46-29-21-15-26(2)16-22-29)39(31)41(33)40-32(37)8-5-12-36(40)44(50)47-30-23-17-27(3)18-24-30/h4-24,37,41H,1-3H3,(H,45,48)(H,46,49)(H,47,50)/t37-,41+
InChIKey DELCGLRBOHWZAR-JBVJVSTHSA-N
Molecular Weight 653.782 g/mol
SMILES N(c1ccc(C)cc1)C(c1cccc2[C@]3(c4c(cccc4C(Nc4ccc(C)cc4)=O)[C@@](c12)(c1c3cccc1C(Nc1ccc(C)cc1)=O)[H])[H])=O
SPLASH splash10-052b-4921020000-5ee93c0ebd5d4f46ee1e
Source of Spectrum J-51-3314-20
Wiley ID 1413266