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(1-Isoquinolin-1-ylnaphthalen-2-yl) trifluoromethanesulfonate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1-Isoquinolin-1-ylnaphthalen-2-yl) trifluoromethanesulfonate
SpectraBase Compound ID KyaLMLsxgcn
InChI InChI=1S/C20H12F3NO3S/c21-20(22,23)28(25,26)27-17-10-9-13-5-1-3-7-15(13)18(17)19-16-8-4-2-6-14(16)11-12-24-19/h1-12H
InChIKey ZOSFIBHFOXQCKU-UHFFFAOYSA-N
Mol Weight 403.38 g/mol
Molecular Formula C20H12F3NO3S
Exact Mass 403.048999 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ERQSDcY8Wvm
Name (1-Isoquinolin-1-ylnaphthalen-2-yl) trifluoromethanesulfonate
Comments Computed using HOSE algorithm
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Exact Mass 403.048998910 u
Formula C20H12F3NO3S
InChI InChI=1S/C20H12F3NO3S/c21-20(22,23)28(25,26)27-17-10-9-13-5-1-3-7-15(13)18(17)19-16-8-4-2-6-14(16)11-12-24-19/h1-12H
InChIKey ZOSFIBHFOXQCKU-UHFFFAOYSA-N
Molecular Weight 403.375 g/mol
SMILES C(S(OC1=C(C=2C3=C(C=CC=C3)C=CN2)C2=CC=CC=C2C=C1)(=O)=O)(F)(F)F