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 Google Search
Mol Weight	222.3 g/mol
Molecular Formula	C12H14O2S
Exact Mass	222.071451 g/mol

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SpectraBase Spectrum ID	HUykPRCjGuV
Name	BENZENE, [(BUTYLSULFONYL)ETHYNYL]-
Copyright	Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. 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	MVX001198