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cis and trans-3-Methoxy-4-(phenylsulfonyl)cyclohexene
SpectraBase Compound ID 6grbqpLTLuP
InChI InChI=1S/C13H16O3S/c1-16-12-9-5-6-10-13(12)17(14,15)11-7-3-2-4-8-11/h2-5,7-9,12-13H,6,10H2,1H3
InChIKey IMMGQHPVPNCEOH-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KWIXVrfti1
Name cis and trans-3-Methoxy-4-(phenylsulfonyl)cyclohexene
Alternate Name(s) 2-methoxy-3-cyclohexen-1-yl phenyl sulfone [(2-methoxy-3-cyclohexen-1-yl)sulfonyl]benzene
Comments Less than 3 mono-isotopic peaks
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Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-16-12-9-5-6-10-13(12)17(14,15)11-7-3-2-4-8-11/h2-5,7-9,12-13H,6,10H2,1H3
InChIKey IMMGQHPVPNCEOH-UHFFFAOYSA-N
Molecular Weight 252.328 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)C(C=CCC1)OC
SPLASH splash10-03di-0900000000-73f3fc2571795954f8a5
Source of Spectrum F-53-17136-13
Wiley ID 804961