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2-(2,2-Dimethyl-6-(4-(trifluoromethyl)phenyl)benzo[D][1,3]dioxol-5-yl)ethyl methyl carbonate
SpectraBase Compound ID IBzYS78ZEm4
InChI InChI=1S/C20H19F3O5/c1-19(2)27-16-10-13(8-9-26-18(24)25-3)15(11-17(16)28-19)12-4-6-14(7-5-12)20(21,22)23/h4-7,10-11H,8-9H2,1-3H3
InChIKey NQUMWDABRIJSFM-UHFFFAOYSA-N
Mol Weight 396.36 g/mol
Molecular Formula C20H19F3O5
Exact Mass 396.118458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7jhUk8bEfSk
Name 2-(2,2-Dimethyl-6-(4-(trifluoromethyl)phenyl)benzo[D][1,3]dioxol-5-yl)ethyl methyl carbonate
Comments Computed using HOSE algorithm
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Exact Mass 396.118458196 u
Formula C20H19F3O5
InChI InChI=1S/C20H19F3O5/c1-19(2)27-16-10-13(8-9-26-18(24)25-3)15(11-17(16)28-19)12-4-6-14(7-5-12)20(21,22)23/h4-7,10-11H,8-9H2,1-3H3
InChIKey NQUMWDABRIJSFM-UHFFFAOYSA-N
Molecular Weight 396.362 g/mol
SMILES CC1(OC=2C(O1)=CC(=C(CCOC(OC)=O)C2)C1=CC=C(C=C1)C(F)(F)F)C