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3,5-di-Tert-butyl-2-hydroxybenzaldehyde, o-heptafluorobutyryl-

View entire compound with spectra: 1 NMR, and 1 FTIR

3,5-di-Tert-butyl-2-hydroxybenzaldehyde, o-heptafluorobutyryl-
SpectraBase Compound ID D9cjySiDbKd
InChI InChI=1S/C19H21F7O3/c1-15(2,3)11-7-10(9-27)13(12(8-11)16(4,5)6)29-14(28)17(20,21)18(22,23)19(24,25)26/h7-9H,1-6H3
InChIKey NTFDVKUXIYYOPH-UHFFFAOYSA-N
Mol Weight 430.36 g/mol
Molecular Formula C19H21F7O3
Exact Mass 430.137892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IbYHHe4Rpeh
Name 3,5-di-Tert-butyl-2-hydroxybenzaldehyde, o-heptafluorobutyryl-
Comments Computed using HOSE algorithm
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Exact Mass 430.137891674 u
Formula C19H21F7O3
InChI InChI=1S/C19H21F7O3/c1-15(2,3)11-7-10(9-27)13(12(8-11)16(4,5)6)29-14(28)17(20,21)18(22,23)19(24,25)26/h7-9H,1-6H3
InChIKey NTFDVKUXIYYOPH-UHFFFAOYSA-N
Molecular Weight 430.363 g/mol
SMILES C(C)(C)(C)C1=CC(C(C)(C)C)=CC(=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=O