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Methyl 2-isopropenyl-2-methyl-1-phenylsulfinylcyclopropane-1-carboxylate isomer
SpectraBase Compound ID IH2CeDDhUTF
InChI InChI=1S/C15H18O3S/c1-11(2)14(3)10-15(14,13(16)18-4)19(17)12-8-6-5-7-9-12/h5-9H,1,10H2,2-4H3/t14-,15+,19?/m1/s1
InChIKey ZMBIHTDFZSZZKT-DALSXFDMSA-N
Mol Weight 278.37 g/mol
Molecular Formula C15H18O3S
Exact Mass 278.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lhv3pXpf2G7
Name Methyl 2-isopropenyl-2-methyl-1-phenylsulfinylcyclopropane-1-carboxylate isomer
Alternate Name(s) Methyl 2-isopropenyl-2-methyl-1-phenylsulfinylcyclopropane-1-carboxylate (1R,2R)-1-Benzenesulfinyl-2-isopropenyl-2-methyl-cyclopropanecarboxylic acid methyl ester methyl 2-isopropenyl-2-methyl-1-(phenylsulfinyl)cyclopropanecarboxylate (1R,2R)-1-(benzenesulfinyl)-2-methyl-2-(1-methylethenyl)-1-cyclopropanecarboxylic acid methyl ester methyl (1R,2R)-1-(benzenesulfinyl)-2-methyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate methyl (1R,2R)-1-(benzenesulfinyl)-2-isopropenyl-2-methyl-cyclopropanecarboxylate methyl (1R,2R)-2-methyl-1-(phenylsulfinyl)-2-prop-1-en-2-yl-cyclopropane-1-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C15H18O3S
InChI InChI=1S/C15H18O3S/c1-11(2)14(3)10-15(14,13(16)18-4)19(17)12-8-6-5-7-9-12/h5-9H,1,10H2,2-4H3/t14-,15+,19?/m1/s1
InChIKey ZMBIHTDFZSZZKT-DALSXFDMSA-N
Molecular Weight 278.366 g/mol
SMILES [C@]1([C@](C(=C)C)(C)C1)(S(=O)c1ccccc1)C(=O)OC
SPLASH splash10-0006-9000000000-0c0d0a95ee28876caea5
Source of Spectrum KC-0-1574-1
Wiley ID 825391