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Ethynyl p-tolyl sulfone

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

Ethynyl p-tolyl sulfone
SpectraBase Compound ID 2XzsvahaWVj
InChI InChI=1S/C9H8O2S/c1-3-12(10,11)9-6-4-8(2)5-7-9/h1,4-7H,2H3
InChIKey FTHKWIMQNXVEHW-UHFFFAOYSA-N
Mol Weight 180.22 g/mol
Molecular Formula C9H8O2S
Exact Mass 180.024501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4iSah2U8fiJ
Name 1-(ethynylsulfonyl)-4-methylbenzene
Alternate Name(s) Ethynyl p-tolyl sulfone 1-Ethynylsulfonyl-4-methylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O2S
InChI InChI=1S/C9H8O2S/c1-3-12(10,11)9-6-4-8(2)5-7-9/h1,4-7H,2H3
InChIKey FTHKWIMQNXVEHW-UHFFFAOYSA-N
Molecular Weight 180.221 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)#C
SPLASH splash10-014i-0900000000-3905424268ed0f0f0be9
Source of Spectrum U1-1998-1999-6
Wiley ID 751750