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4-(3-Oxocylopent-1-enyl)pentyl toluene-4-sulfonate
SpectraBase Compound ID CnhIxAT9Idy
InChI InChI=1S/C17H22O4S/c1-14-6-10-17(11-7-14)22(19,20)21-12-4-2-3-5-15-8-9-16(18)13-15/h6-7,10-11,13H,2-5,8-9,12H2,1H3
InChIKey NWWXQLOFBCBWST-UHFFFAOYSA-N
Mol Weight 322.42 g/mol
Molecular Formula C17H22O4S
Exact Mass 322.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uDJzH5Znhy
Name 4-(3-Oxocylopent-1-enyl)pentyl toluene-4-sulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O4S
InChI InChI=1S/C17H22O4S/c1-14-6-10-17(11-7-14)22(19,20)21-12-4-2-3-5-15-8-9-16(18)13-15/h6-7,10-11,13H,2-5,8-9,12H2,1H3
InChIKey NWWXQLOFBCBWST-UHFFFAOYSA-N
Molecular Weight 322.419 g/mol
SMILES c1(S(=O)(=O)OCCCCCC2=CC(=O)CC2)ccc(cc1)C
SPLASH splash10-0avl-3904000000-bffe4fcc65515c52e74a
Source of Spectrum QE-6-513-17
Synonyms Toluene-4-sulfonic acid 5-(3-oxo-cyclopent-1-enyl)-pentyl ester
Wiley ID 844560