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2,2,4,5,5-hexamethylcyclopent-3-en-1-yl p-toluenesulfonate
SpectraBase Compound ID JRSbk94HfOI
InChI InChI=1S/C18H26O3S/c1-12-8-10-15(11-9-12)22(19,20)21-16-17(4,5)13(2)14(3)18(16,6)7/h8-11,16H,1-7H3
InChIKey YCOJLKMPCFVRQS-UHFFFAOYSA-N
Mol Weight 322.46 g/mol
Molecular Formula C18H26O3S
Exact Mass 322.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmhGDUdMVGT
Name 2,2,4,5,5-hexamethylcyclopent-3-en-1-yl p-toluenesulfonate
CAS Registry Number 114583-27-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O3S
InChI InChI=1S/C18H26O3S/c1-12-8-10-15(11-9-12)22(19,20)21-16-17(4,5)13(2)14(3)18(16,6)7/h8-11,16H,1-7H3
InChIKey YCOJLKMPCFVRQS-UHFFFAOYSA-N
Molecular Weight 322.463 g/mol
SMILES C1(OS(c2ccc(cc2)C)(=O)=O)C(C(C)=C(C1(C)C)C)(C)C
SPLASH splash10-000i-2901000000-4142737df799f8a67c0c
Source of Spectrum J-53-3497-13
Synonyms 2,2,3,4,5,5-hexamethyl-3-cyclopenten-1-yl 4-methylbenzenesulfonate
Wiley ID 1321687