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1-(Benzenesulphonyl)-4-chloro-2,3-dimethylbut-2-ene
SpectraBase Compound ID CHB6hykPpUA
InChI InChI=1S/C12H15ClO2S/c1-10(8-13)11(2)9-16(14,15)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3/b11-10+
InChIKey REQPGNFWDVWWMR-ZHACJKMWSA-N
Mol Weight 258.76 g/mol
Molecular Formula C12H15ClO2S
Exact Mass 258.048129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LnsSspvcIrX
Name 1-(Benzenesulphonyl)-4-chloro-2,3-dimethylbut-2-ene
Alternate Name(s) (2E)-4-chloro-2,3-dimethyl-2-butenyl phenyl sulfone {[(2E)-4-chloro-2,3-dimethyl-2-butenyl]sulfonyl}benzene
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Formula C12H15ClO2S
InChI InChI=1S/C12H15ClO2S/c1-10(8-13)11(2)9-16(14,15)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3/b11-10+
InChIKey REQPGNFWDVWWMR-ZHACJKMWSA-N
Molecular Weight 258.763 g/mol
SMILES C(\C(=C\(CCl)C)C)S(=O)(=O)c1ccccc1
SPLASH splash10-014i-0900000000-13b3616e72de04b03381
Source of Spectrum F7-14-43-20
Wiley ID 1556800