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Benzene, 1-[(2-chloro-2,4-pentadienyl)sulfonyl]-4-methyl-, (E)-
SpectraBase Compound ID KPGvbeXkmBa
InChI InChI=1S/C12H13ClO2S/c1-3-4-11(13)9-16(14,15)12-7-5-10(2)6-8-12/h3-8H,1,9H2,2H3/b11-4+
InChIKey JENRDELXDFPOCN-NYYWCZLTSA-N
Mol Weight 256.75 g/mol
Molecular Formula C12H13ClO2S
Exact Mass 256.032479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJgspOANDBk
Name Benzene, 1-[(2-chloro-2,4-pentadienyl)sulfonyl]-4-methyl-, (E)-
Alternate Name(s) (2E)-2-chloro-2,4-pentadienyl 4-methylphenyl sulfone 1-{[(2E)-2-chloro-2,4-pentadienyl]sulfonyl}-4-methylbenzene
CAS Registry Number 117734-82-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13ClO2S
InChI InChI=1S/C12H13ClO2S/c1-3-4-11(13)9-16(14,15)12-7-5-10(2)6-8-12/h3-8H,1,9H2,2H3/b11-4+
InChIKey JENRDELXDFPOCN-NYYWCZLTSA-N
Molecular Weight 256.747 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)\C(=C/C=C)Cl
SPLASH splash10-0pvl-9730000000-3bd8406afc91ddc599e5
Source of Spectrum J-54-125-0
Wiley ID 1259372