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(4-oxidanylidenecyclooctyl) 4-methylbenzenesulfonate

View entire compound with spectra: 1 MS (GC)

(4-oxidanylidenecyclooctyl) 4-methylbenzenesulfonate
SpectraBase Compound ID FRv3dXhKgpf
InChI InChI=1S/C15H20O4S/c1-12-6-10-15(11-7-12)20(17,18)19-14-5-3-2-4-13(16)8-9-14/h6-7,10-11,14H,2-5,8-9H2,1H3
InChIKey JXHRMTBFLFWOKY-UHFFFAOYSA-N
Mol Weight 296.38 g/mol
Molecular Formula C15H20O4S
Exact Mass 296.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56K1S7DMBUS
Name (4-oxidanylidenecyclooctyl) 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O4S
InChI InChI=1S/C15H20O4S/c1-12-6-10-15(11-7-12)20(17,18)19-14-5-3-2-4-13(16)8-9-14/h6-7,10-11,14H,2-5,8-9H2,1H3
InChIKey JXHRMTBFLFWOKY-UHFFFAOYSA-N
Molecular Weight 296.381 g/mol
SMILES C1(CCC(CCCC1)OS(=O)(=O)c1ccc(C)cc1)=O
SPLASH splash10-004i-9200000000-9e313dcbac92e97079c6
Source of Spectrum F-50-11053-24
Synonyms (4-oxocyclooctyl) 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (4-ketocyclooctyl) ester 4-Methylbenzenesulfonic acid (4-oxocyclooctyl) ester
Wiley ID 789562