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[5-(Phenylsulfonyl)-2,4-cyclohexadien1-yl]acetic acid
SpectraBase Compound ID uYIrosVX5V
InChI InChI=1S/C14H14O4S/c15-14(16)10-11-5-4-8-13(9-11)19(17,18)12-6-2-1-3-7-12/h1-8,11H,9-10H2,(H,15,16)
InChIKey SXCXDMWKOVSPCL-UHFFFAOYSA-N
Mol Weight 278.32 g/mol
Molecular Formula C14H14O4S
Exact Mass 278.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HEJ0Iz6owP6
Name [5-(Phenylsulfonyl)-2,4-cyclohexadien1-yl]acetic acid
Alternate Name(s) 2-[5-(benzenesulfonyl)-1-cyclohexa-2,4-dienyl]acetic acid 2-[5-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]acetic acid 2-[5-(phenylsulfonyl)cyclohexa-2,4-dien-1-yl]ethanoic acid
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Formula C14H14O4S
InChI InChI=1S/C14H14O4S/c15-14(16)10-11-5-4-8-13(9-11)19(17,18)12-6-2-1-3-7-12/h1-8,11H,9-10H2,(H,15,16)
InChIKey SXCXDMWKOVSPCL-UHFFFAOYSA-N
Molecular Weight 278.322 g/mol
SMILES OC(CC1C=CC=C(S(=O)(=O)c2ccccc2)C1)=O
SPLASH splash10-004i-8950000000-5a0a11f3ea34bfd23f73
Source of Spectrum QA-44-370-8s
Wiley ID 862563