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2,2,5,5-tetramethylcyclopent-3-en-1-yl p-toluenesulfonate
SpectraBase Compound ID HcIUQmD9H59
InChI InChI=1S/C16H22O3S/c1-12-6-8-13(9-7-12)20(17,18)19-14-15(2,3)10-11-16(14,4)5/h6-11,14H,1-5H3
InChIKey BIBWCSBWGDQHAO-UHFFFAOYSA-N
Mol Weight 294.41 g/mol
Molecular Formula C16H22O3S
Exact Mass 294.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hToA3GoNoR
Name 2,2,5,5-tetramethylcyclopent-3-en-1-yl p-toluenesulfonate
Alternate Name(s) 2,2,5,5-tetramethyl-3-cyclopenten-1-yl 4-methylbenzenesulfonate
CAS Registry Number 114583-29-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3S
InChI InChI=1S/C16H22O3S/c1-12-6-8-13(9-7-12)20(17,18)19-14-15(2,3)10-11-16(14,4)5/h6-11,14H,1-5H3
InChIKey BIBWCSBWGDQHAO-UHFFFAOYSA-N
Molecular Weight 294.409 g/mol
SMILES C1(OS(c2ccc(cc2)C)(=O)=O)C(C=CC1(C)C)(C)C
SPLASH splash10-05fu-8900000000-b54a41b0292261ba55d0
Source of Spectrum J-53-3497-18
Wiley ID 1297101