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3-(4'-METHOXYPHENYL)-2,2,4,4-TETRAMETHYLPENTYL-4-TOLUENESULFONATE
SpectraBase Compound ID FgAeBHSj3k5
InChI InChI=1S/C23H32O4S/c1-17-8-14-20(15-9-17)28(24,25)27-16-23(5,6)21(22(2,3)4)18-10-12-19(26-7)13-11-18/h8-15,21H,16H2,1-7H3
InChIKey VEKSPIXEXLHVQU-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C23H32O4S
Exact Mass 404.202131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49v3wRQIopX
Name Benzenepropanol, .gamma.-(1,1-dimethylethyl)-4-methoxy-.beta.,.beta.-dimethyl-, 4-methylbenzenesulfonate
CAS Registry Number 110327-07-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O4S
InChI InChI=1S/C23H32O4S/c1-17-8-14-20(15-9-17)28(24,25)27-16-23(5,6)21(22(2,3)4)18-10-12-19(26-7)13-11-18/h8-15,21H,16H2,1-7H3
InChIKey VEKSPIXEXLHVQU-UHFFFAOYSA-N
Molecular Weight 404.565 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)C(C(C(C)(C)C)c1ccc(cc1)OC)(C)C
SPLASH splash10-004i-0900000000-0dae48147eec95580d43
Source of Spectrum B-39-2102-12
Synonyms 3-(4'-Methoxyphenyl)-2,2,4,4,-tetramethylpentyl-4-toluenesulfonate 3-(4-Methoxyphenyl)-2,2,4,4-tetramethylpentyl 4-methylbenzenesulfonate
Wiley ID 1371332