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(1-cyano-2,2,2-trifluoro-1-phenyl-ethyl) 4-methylbenzenesulfonate

View entire compound with spectra: 1 MS (GC)

(1-cyano-2,2,2-trifluoro-1-phenyl-ethyl) 4-methylbenzenesulfonate
SpectraBase Compound ID DFOBi7T4TNn
InChI InChI=1S/C16H12F3NO3S/c1-12-7-9-14(10-8-12)24(21,22)23-15(11-20,16(17,18)19)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey GJUGEJJJHLLGJY-UHFFFAOYSA-N
Mol Weight 355.33 g/mol
Molecular Formula C16H12F3NO3S
Exact Mass 355.048999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46OugQVsM6N
Name (1-cyano-2,2,2-trifluoro-1-phenyl-ethyl) 4-methylbenzenesulfonate
CAS Registry Number 86669-62-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12F3NO3S
InChI InChI=1S/C16H12F3NO3S/c1-12-7-9-14(10-8-12)24(21,22)23-15(11-20,16(17,18)19)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey GJUGEJJJHLLGJY-UHFFFAOYSA-N
Molecular Weight 355.331 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)(C(F)(F)F)(C#N)c1ccccc1
SPLASH splash10-0f89-0965000000-a52118a30cfb6b66c741
Source of Spectrum J-50-508-3
Synonyms 4-Methylbenzenesulfonic acid (1-cyano-2,2,2-trifluoro-1-phenyl-ethyl) ester 4-Methylbenzenesulfonic acid (1-cyano-2,2,2-trifluoro-1-phenylethyl) ester (1-cyano-2,2,2-trifluoro-1-phenylethyl) 4-methylbenzenesulfonate
Wiley ID 1345133