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2,2-Dimethyl-benzo[d]-1,3-dioxole-4-triflate

View entire compound with spectra: 1 MS (GC)

2,2-Dimethyl-benzo[d]-1,3-dioxole-4-triflate
SpectraBase Compound ID 4HDx6falt8g
InChI InChI=1S/C10H11F3O5S/c1-9(2)16-6-4-3-5-7(8(6)17-9)18-19(14,15)10(11,12)13/h3-6,8H,1-2H3/t6-,8-/m1/s1
InChIKey AIMFVHZGQAGTHJ-HTRCEHHLSA-N
Mol Weight 300.25 g/mol
Molecular Formula C10H11F3O5S
Exact Mass 300.027929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ajg1qRUkCZ5
Name 2,2-Dimethyl-benzo[d]-1,3-dioxole-4-triflate
Alternate Name(s) Trifluoro-methanesulfonic acid (3aR,7aR)-2,2-dimethyl-3a,7a-dihydro-benzo[1,3]dioxol-4-yl ester (3aR,7aR)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxol-4-yl trifluoromethanesulfonate
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Formula C10H11F3O5S
InChI InChI=1S/C10H11F3O5S/c1-9(2)16-6-4-3-5-7(8(6)17-9)18-19(14,15)10(11,12)13/h3-6,8H,1-2H3/t6-,8-/m1/s1
InChIKey AIMFVHZGQAGTHJ-HTRCEHHLSA-N
Molecular Weight 300.248 g/mol
SMILES C(S(OC=1[C@@]2(OC(C)(C)O[C@]2([H])C=CC1)[H])(=O)=O)(F)(F)F
SPLASH splash10-0006-8490000000-a79804d08c8665026a1d
Source of Spectrum F4-24-460-2
Wiley ID 1740347