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BENZENE, [(BUTYLSULFONYL)ETHYNYL]-

View entire compound with spectra: 2 MS (GC)

BENZENE, [(BUTYLSULFONYL)ETHYNYL]-
SpectraBase Compound ID 3gCAOIQ7Gai
InChI InChI=1S/C12H14O2S/c1-2-3-10-15(13,14)11-9-12-7-5-4-6-8-12/h4-8H,2-3,10H2,1H3
InChIKey ULJJQAFUJFYRTL-UHFFFAOYSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K61fiMM8PS0
Name BENZENE, [(BUTYLSULFONYL)ETHYNYL]-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Exact Mass 222.071450863 u
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-2-3-10-15(13,14)11-9-12-7-5-4-6-8-12/h4-8H,2-3,10H2,1H3
InChIKey ULJJQAFUJFYRTL-UHFFFAOYSA-N
Molecular Weight 222.302 g/mol
Nominal Mass 222 u
Number of Peaks 79
SMILES c1(ccccc1)C#CS(CCCC)(=O)=O
SPLASH splash10-0udi-8900000000-424da6bf2ce7598ca1c8
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX_001198