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6-[4'-Benzyloxy-2-methylbiphenyl-4-yloxy]-4-oxahexane-1,2-diol

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6-[4'-Benzyloxy-2-methylbiphenyl-4-yloxy]-4-oxahexane-1,2-diol
SpectraBase Compound ID HDjXbZo5THQ
InChI InChI=1S/C25H28O5/c1-19-15-24(29-14-13-28-18-22(27)16-26)11-12-25(19)21-7-9-23(10-8-21)30-17-20-5-3-2-4-6-20/h2-12,15,22,26-27H,13-14,16-18H2,1H3
InChIKey QUUGHHDPKLMYSN-UHFFFAOYSA-N
Mol Weight 408.49 g/mol
Molecular Formula C25H28O5
Exact Mass 408.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FPF0CoW5fDL
Name 6-[4'-Benzyloxy-2-methylbiphenyl-4-yloxy]-4-oxahexane-1,2-diol
Comments Computed using HOSE algorithm
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Exact Mass 408.193673997 u
Formula C25H28O5
InChI InChI=1S/C25H28O5/c1-19-15-24(29-14-13-28-18-22(27)16-26)11-12-25(19)21-7-9-23(10-8-21)30-17-20-5-3-2-4-6-20/h2-12,15,22,26-27H,13-14,16-18H2,1H3
InChIKey QUUGHHDPKLMYSN-UHFFFAOYSA-N
Molecular Weight 408.494 g/mol
SMILES C(C(COCCOC=1C=C(C(=CC1)C=1C=CC(=CC1)OCC=1C=CC=CC1)C)O)O