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2,2,5,7,8-Pentamethyl-6-hydroxychroman, o-heptafluorobutyryl-

View entire compound with spectra: 1 NMR

2,2,5,7,8-Pentamethyl-6-hydroxychroman, o-heptafluorobutyryl-
SpectraBase Compound ID Gm9MpwoFvlK
InChI InChI=1S/C18H19F7O3/c1-8-9(2)13-11(6-7-15(4,5)28-13)10(3)12(8)27-14(26)16(19,20)17(21,22)18(23,24)25/h6-7H2,1-5H3
InChIKey WMVWRWGZIQLAIP-UHFFFAOYSA-N
Mol Weight 416.34 g/mol
Molecular Formula C18H19F7O3
Exact Mass 416.122242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4yr4CHW5CKH
Name 2,2,5,7,8-Pentamethyl-6-hydroxychroman, o-heptafluorobutyryl-
Comments Computed using HOSE algorithm
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Exact Mass 416.122241610 u
Formula C18H19F7O3
InChI InChI=1S/C18H19F7O3/c1-8-9(2)13-11(6-7-15(4,5)28-13)10(3)12(8)27-14(26)16(19,20)17(21,22)18(23,24)25/h6-7H2,1-5H3
InChIKey WMVWRWGZIQLAIP-UHFFFAOYSA-N
Molecular Weight 416.336 g/mol
SMILES C12=C(C(=C(C(=C2OC(CC1)(C)C)C)C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C