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1-(Phenylsulfonyl)-1-(1-propynyl)cycloheptane

View entire compound with spectra: 1 MS (GC)

1-(Phenylsulfonyl)-1-(1-propynyl)cycloheptane
SpectraBase Compound ID BJWPu3pfsWK
InChI InChI=1S/C16H20O2S/c1-2-12-16(13-8-3-4-9-14-16)19(17,18)15-10-6-5-7-11-15/h5-7,10-11H,3-4,8-9,13-14H2,1H3
InChIKey DBKKWPNPYDTXBI-UHFFFAOYSA-N
Mol Weight 276.39 g/mol
Molecular Formula C16H20O2S
Exact Mass 276.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rUBP3OIsuH
Name 1-(Phenylsulfonyl)-1-(1-propynyl)cycloheptane
Comments Less than 3 mono-isotopic peaks
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Formula C16H20O2S
InChI InChI=1S/C16H20O2S/c1-2-12-16(13-8-3-4-9-14-16)19(17,18)15-10-6-5-7-11-15/h5-7,10-11H,3-4,8-9,13-14H2,1H3
InChIKey DBKKWPNPYDTXBI-UHFFFAOYSA-N
Molecular Weight 276.394 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)(C#CC)CCCCCC1
SPLASH splash10-004i-0090000000-5eb576596e974b9dad3d
Source of Spectrum F-66-3693-10eMe
Wiley ID 1685447