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1-(Phenylsulfinyl)undec-5-yn-2-one
SpectraBase Compound ID 2iwq0W2KKFZ
InChI InChI=1S/C17H22O2S/c1-2-3-4-5-6-7-9-12-16(18)15-20(19)17-13-10-8-11-14-17/h8,10-11,13-14H,2-5,9,12,15H2,1H3
InChIKey KECGWMIEZGBOSX-UHFFFAOYSA-N
Mol Weight 290.42 g/mol
Molecular Formula C17H22O2S
Exact Mass 290.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8eEQfu8CZCU
Name 1-(Phenylsulfinyl)undec-5-yn-2-one
Alternate Name(s) 1-(benzenesulfinyl)-5-undecyn-2-one 1-(benzenesulfinyl)undec-5-yn-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O2S
InChI InChI=1S/C17H22O2S/c1-2-3-4-5-6-7-9-12-16(18)15-20(19)17-13-10-8-11-14-17/h8,10-11,13-14H,2-5,9,12,15H2,1H3
InChIKey KECGWMIEZGBOSX-UHFFFAOYSA-N
Molecular Weight 290.421 g/mol
SMILES C(C(CCC#CCCCCC)=O)S(=O)c1ccccc1
SPLASH splash10-00xr-0900000000-267bb4241324767ddfca
Source of Spectrum E2-51-603-3
Wiley ID 1556089