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1,3-Benzenediol, o-(4-trifluoromethylbenzoyl)-o'-acetoxyacetyl-

View entire compound with spectra: 1 NMR

1,3-Benzenediol, o-(4-trifluoromethylbenzoyl)-o'-acetoxyacetyl-
SpectraBase Compound ID GXvno4Mdt71
InChI InChI=1S/C18H13F3O6/c1-11(22)25-10-16(23)26-14-3-2-4-15(9-14)27-17(24)12-5-7-13(8-6-12)18(19,20)21/h2-9H,10H2,1H3
InChIKey NSCKASFQFBVHNX-UHFFFAOYSA-N
Mol Weight 382.29 g/mol
Molecular Formula C18H13F3O6
Exact Mass 382.066423 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KeaPfyTRGFH
Name 1,3-Benzenediol, o-(4-trifluoromethylbenzoyl)-o'-acetoxyacetyl-
Comments Computed using HOSE algorithm
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Exact Mass 382.066422622 u
Formula C18H13F3O6
InChI InChI=1S/C18H13F3O6/c1-11(22)25-10-16(23)26-14-3-2-4-15(9-14)27-17(24)12-5-7-13(8-6-12)18(19,20)21/h2-9H,10H2,1H3
InChIKey NSCKASFQFBVHNX-UHFFFAOYSA-N
Molecular Weight 382.291 g/mol
SMILES C1(=CC(=CC=C1)OC(=O)COC(=O)C)OC(=O)C1=CC=C(C(F)(F)F)C=C1