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Nordihydroguaiaretic acid, 4ac

View entire compound with spectra: 1 NMR

Nordihydroguaiaretic acid, 4ac
SpectraBase Compound ID Iq9I4hI9etb
InChI InChI=1S/C26H30O8/c1-15(11-21-7-9-23(31-17(3)27)25(13-21)33-19(5)29)16(2)12-22-8-10-24(32-18(4)28)26(14-22)34-20(6)30/h7-10,13-16H,11-12H2,1-6H3
InChIKey GWOKMFBQLPXPFD-UHFFFAOYSA-N
Mol Weight 470.52 g/mol
Molecular Formula C26H30O8
Exact Mass 470.194068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFb56Z5TR1h
Name Nordihydroguaiaretic acid, 4ac
Comments Computed using HOSE algorithm
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Exact Mass 470.194067918 u
Formula C26H30O8
InChI InChI=1S/C26H30O8/c1-15(11-21-7-9-23(31-17(3)27)25(13-21)33-19(5)29)16(2)12-22-8-10-24(32-18(4)28)26(14-22)34-20(6)30/h7-10,13-16H,11-12H2,1-6H3
InChIKey GWOKMFBQLPXPFD-UHFFFAOYSA-N
Molecular Weight 470.518 g/mol
SMILES C(C(C(CC=1C=CC(=C(C1)OC(C)=O)OC(=O)C)C)C)C=1C=CC(=C(C1)OC(C)=O)OC(=O)C