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4-(3-Oxocylopent-1-enyl)butyl toluene-4-sulfonate
SpectraBase Compound ID DWvK5dZasDA
InChI InChI=1S/C16H20O4S/c1-13-5-9-16(10-6-13)21(18,19)20-11-3-2-4-14-7-8-15(17)12-14/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKey UHEQZFQIWVYTEI-UHFFFAOYSA-N
Mol Weight 308.39 g/mol
Molecular Formula C16H20O4S
Exact Mass 308.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9xUtFRkJHZm
Name 4-(3-Oxocylopent-1-enyl)butyl toluene-4-sulfonate
Alternate Name(s) Toluene-4-sulfonic acid 4-(3-oxo-cyclopent-1-enyl)-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4S
InChI InChI=1S/C16H20O4S/c1-13-5-9-16(10-6-13)21(18,19)20-11-3-2-4-14-7-8-15(17)12-14/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKey UHEQZFQIWVYTEI-UHFFFAOYSA-N
Molecular Weight 308.392 g/mol
SMILES c1(S(=O)(=O)OCCCCC2=CC(=O)CC2)ccc(cc1)C
SPLASH splash10-0a4i-3905000000-ed0e7570aba74fb94fed
Source of Spectrum QE-6-513-17
Wiley ID 844561