N,N',N''-Tris[(R)-1-methylbenzyl] 1,3,5-benzenetrisamide

SpectraBase Compound ID	CKp1oGIqOYa
InChI	InChI=1S/C33H33N3O3/c1-22(25-13-7-4-8-14-25)34-31(37)28-19-29(32(38)35-23(2)26-15-9-5-10-16-26)21-30(20-28)33(39)36-24(3)27-17-11-6-12-18-27/h4-24H,1-3H3,(H,34,37)(H,35,38)(H,36,39)/t22-,23-,24-/m1/s1
InChIKey	FMMRJDRVBIVMGO-WXFUMESZSA-N Google Search
Mol Weight	519.6 g/mol
Molecular Formula	C33H33N3O3
Exact Mass	519.252192 g/mol

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SpectraBase Spectrum ID	kS3ELfgbqO
Name	N,N',N''-Tris[(R)-1-methylbenzyl] 1,3,5-benzenetrisamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	519.252191932 u
Formula	C33H33N3O3
InChI	InChI=1S/C33H33N3O3/c1-22(25-13-7-4-8-14-25)34-31(37)28-19-29(32(38)35-23(2)26-15-9-5-10-16-26)21-30(20-28)33(39)36-24(3)27-17-11-6-12-18-27/h4-24H,1-3H3,(H,34,37)(H,35,38)(H,36,39)/t22-,23-,24-/m1/s1
InChIKey	FMMRJDRVBIVMGO-WXFUMESZSA-N
Molecular Weight	519.645 g/mol
SMILES	C(C1=CC(C(N[C@@](C2=CC=CC=C2)(C)[H])=O)=CC(C(N[C@@](C=2C=CC=CC2)(C)[H])=O)=C1)(N[C@@](C1=CC=CC=C1)(C)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.932178