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Heminordihydroguaiaretic acid, triacetate

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

Heminordihydroguaiaretic acid, triacetate
SpectraBase Compound ID F2h89NpDSyU
InChI InChI=1S/C25H30O7/c1-15(11-20-7-9-22(30-17(3)26)24(13-20)29-6)16(2)12-21-8-10-23(31-18(4)27)25(14-21)32-19(5)28/h7-10,13-16H,11-12H2,1-6H3
InChIKey OMLYSPSJMXWOIQ-UHFFFAOYSA-N
Mol Weight 442.51 g/mol
Molecular Formula C25H30O7
Exact Mass 442.199153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4JL0Z1nZO8f
Name Heminordihydroguaiaretic acid, triacetate
Comments Computed using HOSE algorithm
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Exact Mass 442.199153299 u
Formula C25H30O7
InChI InChI=1S/C25H30O7/c1-15(11-20-7-9-22(30-17(3)26)24(13-20)29-6)16(2)12-21-8-10-23(31-18(4)27)25(14-21)32-19(5)28/h7-10,13-16H,11-12H2,1-6H3
InChIKey OMLYSPSJMXWOIQ-UHFFFAOYSA-N
Molecular Weight 442.508 g/mol
SMILES C1(=C(C=C(C=C1)CC(C(CC1=CC(=C(C=C1)OC(C)=O)OC)C)C)OC(C)=O)OC(=O)C