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3-(Cyclohexylmethylene)-1-(methylsulfonyl)indoline
SpectraBase Compound ID G5XEQued03J
InChI InChI=1S/C16H21NO2S/c1-20(18,19)17-12-14(11-13-7-3-2-4-8-13)15-9-5-6-10-16(15)17/h5-6,9-11,13H,2-4,7-8,12H2,1H3
InChIKey COKTYDSOHVPZCH-UHFFFAOYSA-N
Mol Weight 291.41 g/mol
Molecular Formula C16H21NO2S
Exact Mass 291.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3FAQWUqQkN
Name 3-(Cyclohexylmethylene)-1-(methylsulfonyl)indoline
Appearance Colourless oil
Carrier Gas Helium
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Formula C16H21NO2S
GC Oven Program Oven temp 320 oC, Splitless injector
InChI InChI=1S/C16H21NO2S/c1-20(18,19)17-12-14(11-13-7-3-2-4-8-13)15-9-5-6-10-16(15)17/h5-6,9-11,13H,2-4,7-8,12H2,1H3
InChIKey COKTYDSOHVPZCH-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201905814
Molecular Weight 291.409 g/mol
Reported Formula C16H21NO2
SMILES C(=C1CN(c2c1cccc2)S(C)(=O)=O)C1CCCCC1
SPLASH splash10-00o0-2900000000-b72763f5544041b5c0d8
Sample Comments E/Z = 2:8
Source of Spectrum ACI-58-SM17-23b
Wiley ID 1875426