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(3-oxocyclopenten-1-yl) 4-methylbenzenesulfonate
SpectraBase Compound ID JzP9xNoDnIy
InChI InChI=1S/C12H12O4S/c1-9-2-6-12(7-3-9)17(14,15)16-11-5-4-10(13)8-11/h2-3,6-8H,4-5H2,1H3
InChIKey DUNMIVQLQNMUET-UHFFFAOYSA-N
Mol Weight 252.28 g/mol
Molecular Formula C12H12O4S
Exact Mass 252.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoSx6E2gMyB
Name (3-oxocyclopenten-1-yl) 4-methylbenzenesulfonate
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O4S
InChI InChI=1S/C12H12O4S/c1-9-2-6-12(7-3-9)17(14,15)16-11-5-4-10(13)8-11/h2-3,6-8H,4-5H2,1H3
InChIKey DUNMIVQLQNMUET-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/chem.202002297
Molecular Weight 252.284 g/mol
Reported Formula C12H12O4S
SMILES C1CC(OS(c2ccc(C)cc2)(=O)=O)=CC1=O
SPLASH splash10-0a4l-6900000000-9c68e24dd370a1ebd530
Source of Spectrum QE-76-SM5-5a
Wiley ID 1843551