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Benzeneethanesulfonic acid, .beta.-oxo-.alpha.-phenyl-, ethyl ester
SpectraBase Compound ID 8MaOKawHcZg
InChI InChI=1S/C16H16O4S/c1-2-20-21(18,19)16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12,16H,2H2,1H3
InChIKey PFTUURIGLCLLGX-UHFFFAOYSA-N
Mol Weight 304.36 g/mol
Molecular Formula C16H16O4S
Exact Mass 304.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1NpkQFmkJK
Name Benzeneethanesulfonic acid, .beta.-oxo-.alpha.-phenyl-, ethyl ester
Alternate Name(s) Ethyl 2-oxo-1,2-diphenylethanesulfonate Ethyl deoxybenzoin-.alpha.-sulfonate
CAS Registry Number 55407-84-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O4S
InChI InChI=1S/C16H16O4S/c1-2-20-21(18,19)16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12,16H,2H2,1H3
InChIKey PFTUURIGLCLLGX-UHFFFAOYSA-N
Molecular Weight 304.360 g/mol
SMILES C(S(=O)(=O)OCC)(C(=O)c1ccccc1)c1ccccc1
SPLASH splash10-0a4i-3900000000-88a5ce99c54083867fd7
Source of Spectrum C-97-1456-0
Wiley ID 1306284