TRI[(4-tert-BUTYL-3-HYDROXY-2,6-DIMETHYL)BENZYL]ISOCYANURATE

SpectraBase Compound ID	FHtkWjTzSV8
InChI	InChI=1S/C42H57N3O6/c1-22-16-31(40(7,8)9)34(46)25(4)28(22)19-43-37(49)44(20-29-23(2)17-32(41(10,11)12)35(47)26(29)5)39(51)45(38(43)50)21-30-24(3)18-33(42(13,14)15)36(48)27(30)6/h16-18,46-48H,19-21H2,1-15H3
InChIKey	XYXJKPCGSGVSBO-UHFFFAOYSA-N Google Search
Mol Weight	699.9 g/mol
Molecular Formula	C42H57N3O6
Exact Mass	699.424737 g/mol

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SpectraBase Spectrum ID	tVXDlcAr9P
Name	Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate
Source of Sample	Sigma-Aldrich Co. LLC.
Catalog Number	413224
CAS Registry Number	40601-76-1
Copyright	Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C42H57N3O6
InChI	InChI=1S/C42H57N3O6/c1-22-16-31(40(7,8)9)34(46)25(4)28(22)19-43-37(49)44(20-29-23(2)17-32(41(10,11)12)35(47)26(29)5)39(51)45(38(43)50)21-30-24(3)18-33(42(13,14)15)36(48)27(30)6/h16-18,46-48H,19-21H2,1-15H3
InChIKey	XYXJKPCGSGVSBO-UHFFFAOYSA-N
Observed nucleus	13C
Purity	97%
Solvent	DMSO-d6
Source of Spectrum	Sigma-Aldrich Co. LLC.
Wiley ID	SIAL_13CNMR_009144