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Benzenemethanol, .alpha.-[3-(phenylsulfinyl)-2-propenyl]-, [R*,S*-(E)]-(.+-.)-
SpectraBase Compound ID Fgqa4qWN8VI
InChI InChI=1S/C16H16O2S/c17-16(14-8-3-1-4-9-14)12-7-13-19(18)15-10-5-2-6-11-15/h1-11,13,16-17H,12H2/b13-7+
InChIKey YBBZNPYFXYUXCL-NTUHNPAUSA-N
Mol Weight 272.36 g/mol
Molecular Formula C16H16O2S
Exact Mass 272.087101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AI0aBxQVnHt
Name Benzenemethanol, .alpha.-[3-(phenylsulfinyl)-2-propenyl]-, [R*,S*-(E)]-(.+-.)-
Comments Computed using HOSE algorithm
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Exact Mass 272.087100927 u
Formula C16H16O2S
InChI InChI=1S/C16H16O2S/c17-16(14-8-3-1-4-9-14)12-7-13-19(18)15-10-5-2-6-11-15/h1-11,13,16-17H,12H2/b13-7+
InChIKey YBBZNPYFXYUXCL-NTUHNPAUSA-N
Molecular Weight 272.362 g/mol
SMILES C(\C=C\S(=O)C1=CC=CC=C1)C(C=1C=CC=CC1)O