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1-(5-Chloro-2-methoxyphenyl)naphthalen-2-yl trifluoromethanesulfonate
SpectraBase Compound ID 174Ak9mPgFE
InChI InChI=1S/C18H12ClF3O4S/c1-25-15-9-7-12(19)10-14(15)17-13-5-3-2-4-11(13)6-8-16(17)26-27(23,24)18(20,21)22/h2-10H,1H3
InChIKey QBHQWNIRNZFVLQ-UHFFFAOYSA-N
Mol Weight 416.8 g/mol
Molecular Formula C18H12ClF3O4S
Exact Mass 416.009692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JkN3ohpd5NF
Name 1-(5-Chloro-2-methoxyphenyl)naphthalen-2-yl trifluoromethanesulfonate
Comments Computed using HOSE algorithm
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Exact Mass 416.009692225 u
Formula C18H12ClF3O4S
InChI InChI=1S/C18H12ClF3O4S/c1-25-15-9-7-12(19)10-14(15)17-13-5-3-2-4-11(13)6-8-16(17)26-27(23,24)18(20,21)22/h2-10H,1H3
InChIKey QBHQWNIRNZFVLQ-UHFFFAOYSA-N
Molecular Weight 416.798 g/mol
SMILES C(S(=O)(=O)OC=1C(=C2C=CC=CC2=CC1)C=1C(=CC=C(C1)Cl)OC)(F)(F)F