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4-Benzyloxy-3-[(1S)-1,2,2-trimethylcyclopentyl]phenyl trifluoromethanesulfonate
SpectraBase Compound ID 34Xz9QKjE6w
InChI InChI=1S/C22H25F3O4S/c1-20(2)12-7-13-21(20,3)18-14-17(29-30(26,27)22(23,24)25)10-11-19(18)28-15-16-8-5-4-6-9-16/h4-6,8-11,14H,7,12-13,15H2,1-3H3/t21-/m1/s1
InChIKey GFVJMHFIMVAGJS-OAQYLSRUSA-N
Mol Weight 442.49 g/mol
Molecular Formula C22H25F3O4S
Exact Mass 442.142565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28KD2ilaL91
Name 4-Benzyloxy-3-[(1S)-1,2,2-trimethylcyclopentyl]phenyl trifluoromethanesulfonate
Alternate Name(s) Trifluoromethanesulfonic acid[4-benzoxy-3-[(1S)-1,2,2-trimethylcyclopentyl]phenyl]ester Trifluoromethanesulfonic acid[4-phenylmethoxy-3-[(1S)-1,2,2-trimethylcyclopentyl]phenyl]ester [4-phenylmethoxy-3-[(1S)-1,2,2-trimethylcyclopentyl]phenyl]trifluoromethanesulfonate [4-phenylmethoxy-3-[(1S)-1,2,2-trimethylcyclopentyl]phenyl]tris(fluoranyl)methanesulfonate Trifluoromethanesulfonic acid [4-phenylmethoxy-3-[(1S)-1,2,2-trimethylcyclopentyl]phenyl] ester [4-phenylmethoxy-3-[(1S)-1,2,2-trimethylcyclopentyl]phenyl] trifluoromethanesulfonate [4-benzyloxy-3-[(1S)-1,2,2-trimethylcyclopentyl]phenyl] trifluoromethanesulfonate [4-phenylmethoxy-3-[(1S)-1,2,2-trimethylcyclopentyl]phenyl] tris(fluoranyl)methanesulfonate
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Formula C22H25F3O4S
InChI InChI=1S/C22H25F3O4S/c1-20(2)12-7-13-21(20,3)18-14-17(29-30(26,27)22(23,24)25)10-11-19(18)28-15-16-8-5-4-6-9-16/h4-6,8-11,14H,7,12-13,15H2,1-3H3/t21-/m1/s1
InChIKey GFVJMHFIMVAGJS-OAQYLSRUSA-N
Molecular Weight 442.493 g/mol
SMILES C(S(Oc1cc([C@@]2(C(CCC2)(C)C)C)c(cc1)OCc1ccccc1)(=O)=O)(F)(F)F
SPLASH splash10-0006-9002200000-3503e7c44945ee2b9b3d
Source of Spectrum QC-11-1611-13
Wiley ID 859762