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1-tert-Butyl 3-methyl 4,5,6-tritert-butylisophthalate
SpectraBase Compound ID 9RCiqbklcb8
InChI InChI=1S/C25H40O4/c1-22(2,3)17-15(20(26)28-13)14-16(21(27)29-25(10,11)12)18(23(4,5)6)19(17)24(7,8)9/h14H,1-13H3
InChIKey UKUUJDQKSOQWHF-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID emA4VS1PLG
Name 1-tert-Butyl 3-methyl 4,5,6-tritert-butylisophthalate
CAS Registry Number 106543-14-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-22(2,3)17-15(20(26)28-13)14-16(21(27)29-25(10,11)12)18(23(4,5)6)19(17)24(7,8)9/h14H,1-13H3
InChIKey UKUUJDQKSOQWHF-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C(=O)(c1cc(c(c(c1C(C)(C)C)C(C)(C)C)C(C)(C)C)C(=O)OC(C)(C)C)OC
SPLASH splash10-0bvi-5290000000-e34577bbc9c01c59e926
Source of Spectrum HE-1986-1417-0
Synonyms 1,3-Benzenedicarboxylic acid, 4,5,6-tris(1,1-dimethylethyl)-, 1,1-dimethylethyl methyl ester 3-O-tert-butyl 1-O-methyl 4,5,6-tritert-butylbenzene-1,3-dicarboxylate 4,5,6-tritert-butylbenzene-1,3-dicarboxylic acid O3-tert-butyl ester O1-methyl ester O3-tert-butyl O1-methyl 4,5,6-tritert-butylbenzene-1,3-dicarboxylate
Wiley ID 1371506