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Ethyl 3-(3,5-Dimethylphenyl)-5-(trifluoromethylsulfonyloxy)-2-naphthoate
SpectraBase Compound ID 4et3E7JHvZo
InChI InChI=1S/C22H19F3O5S/c1-4-29-21(26)19-11-15-6-5-7-20(30-31(27,28)22(23,24)25)18(15)12-17(19)16-9-13(2)8-14(3)10-16/h5-12H,4H2,1-3H3
InChIKey WKHVZWWVPVYXME-UHFFFAOYSA-N
Mol Weight 452.44 g/mol
Molecular Formula C22H19F3O5S
Exact Mass 452.090529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KF07hDbHBQP
Name Ethyl 3-(3,5-Dimethylphenyl)-5-(trifluoromethylsulfonyloxy)-2-naphthoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19F3O5S
InChI InChI=1S/C22H19F3O5S/c1-4-29-21(26)19-11-15-6-5-7-20(30-31(27,28)22(23,24)25)18(15)12-17(19)16-9-13(2)8-14(3)10-16/h5-12H,4H2,1-3H3
InChIKey WKHVZWWVPVYXME-UHFFFAOYSA-N
Molecular Weight 452.444 g/mol
SMILES C(S(Oc1c2cc(-c3cc(C)cc(c3)C)c(cc2ccc1)C(=O)OCC)(=O)=O)(F)(F)F
SPLASH splash10-014i-0009400000-72dc5ff7ff27c9ceab89
Source of Spectrum F4-43-2115-11c
Wiley ID 1675915