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Benoxaprofen - derivatized with PFPA and HFP

View entire compound with spectra: 1 MS (GC)

Benoxaprofen - derivatized with PFPA and HFP
SpectraBase Compound ID JYWmwZnaMte
InChI InChI=1S/C19H12ClF6NO3/c1-9(16(28)30-17(18(21,22)23)19(24,25)26)11-4-7-14-13(8-11)27-15(29-14)10-2-5-12(20)6-3-10/h2-9,17H,1H3
InChIKey QEVMWKKKGFVPOD-UHFFFAOYSA-N
Mol Weight 451.75 g/mol
Molecular Formula C19H12ClF6NO3
Exact Mass 451.04099 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfPpa0v7k3N
Name Benoxaprofen - derivatized with PFPA and HFP
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H12ClF6NO3
InChI InChI=1S/C19H12ClF6NO3/c1-9(16(28)30-17(18(21,22)23)19(24,25)26)11-4-7-14-13(8-11)27-15(29-14)10-2-5-12(20)6-3-10/h2-9,17H,1H3
InChIKey QEVMWKKKGFVPOD-UHFFFAOYSA-N
Molecular Weight 451.752 g/mol
SMILES c1(nc2c(o1)ccc(c2)C(C(OC(C(F)(F)F)C(F)(F)F)=O)C)-c1ccc(cc1)Cl
SPLASH splash10-0pb9-1290500000-49a5bf8e315c1700d497
Source of Spectrum CJ-0-9-3440
Wiley ID 1387913