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O-(p-Toluenesulfonyl)-11-(4'-ethoxymethoxyphenyl)-2,2,2-trifluoroethanone - Oxime
SpectraBase Compound ID BqKQ1FnYnm7
InChI InChI=1S/C18H18F3NO5S/c1-3-25-12-26-15-8-6-14(7-9-15)17(18(19,20)21)22-27-28(23,24)16-10-4-13(2)5-11-16/h4-11H,3,12H2,1-2H3/b22-17+
InChIKey YRLQUXIMVGNYFI-OQKWZONESA-N
Mol Weight 417.4 g/mol
Molecular Formula C18H18F3NO5S
Exact Mass 417.085778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Er6qATWSIyd
Name O-(p-Toluenesulfonyl)-11-(4'-ethoxymethoxyphenyl)-2,2,2-trifluoroethanone - Oxime
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18F3NO5S
InChI InChI=1S/C18H18F3NO5S/c1-3-25-12-26-15-8-6-14(7-9-15)17(18(19,20)21)22-27-28(23,24)16-10-4-13(2)5-11-16/h4-11H,3,12H2,1-2H3/b22-17+
InChIKey YRLQUXIMVGNYFI-OQKWZONESA-N
Molecular Weight 417.399 g/mol
SMILES C(\C(=N\OS(c1ccc(cc1)C)(=O)=O)c1ccc(cc1)OCOCC)(F)(F)F
SPLASH splash10-0a4l-9300000000-88b147f8906494e61d48
Source of Spectrum X2-56-1325-12
Wiley ID 1604975