Tri-tert-butylcalix[3]triazine

SpectraBase Compound ID	DFTg0WrpaH3
InChI	InChI=1S/C21H27N9S3/c1-19(2,3)10-22-13-28-14(23-10)32-16-25-12(21(7,8)9)27-18(30-16)33-17-26-11(20(4,5)6)24-15(29-17)31-13/h1-9H3
InChIKey	ORAXQOCRQHZIBT-UHFFFAOYSA-N Google Search
Mol Weight	501.69 g/mol
Molecular Formula	C21H27N9S3
Exact Mass	501.155155 g/mol

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SpectraBase Spectrum ID	LdfnF95oUUc
Name	Tri-tert-butylcalix[3]triazine
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H27N9S3
InChI	InChI=1S/C21H27N9S3/c1-19(2,3)10-22-13-28-14(23-10)32-16-25-12(21(7,8)9)27-18(30-16)33-17-26-11(20(4,5)6)24-15(29-17)31-13/h1-9H3
InChIKey	ORAXQOCRQHZIBT-UHFFFAOYSA-N
Molecular Weight	501.690 g/mol
SMILES	c12nc(C(C)(C)C)nc(n2)Sc2nc(C(C)(C)C)nc(n2)Sc2nc(S1)nc(n2)C(C)(C)C
SPLASH	splash10-000i-0000920000-919ce11debca68235b86
Source of Spectrum	AT-38-7640-2
Wiley ID	853996