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3,6-Dihydroxy-2,7-dimethoxy-10,11-dihexyloxytriphenylene
SpectraBase Compound ID 48bCo62x7Gl
InChI InChI=1S/C32H40O6/c1-5-7-9-11-13-37-31-19-25-23-17-29(35-3)27(33)15-21(23)22-16-28(34)30(36-4)18-24(22)26(25)20-32(31)38-14-12-10-8-6-2/h15-20,33-34H,5-14H2,1-4H3
InChIKey BMMSAGLJTNZGHV-UHFFFAOYSA-N
Mol Weight 520.7 g/mol
Molecular Formula C32H40O6
Exact Mass 520.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Ehl8atasp7
Name 3,6-Dihydroxy-2,7-dimethoxy-10,11-dihexyloxytriphenylene
Comments Computed using HOSE algorithm
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Exact Mass 520.282489002 u
Formula C32H40O6
InChI InChI=1S/C32H40O6/c1-5-7-9-11-13-37-31-19-25-23-17-29(35-3)27(33)15-21(23)22-16-28(34)30(36-4)18-24(22)26(25)20-32(31)38-14-12-10-8-6-2/h15-20,33-34H,5-14H2,1-4H3
InChIKey BMMSAGLJTNZGHV-UHFFFAOYSA-N
Molecular Weight 520.666 g/mol
SMILES C1=2C=3C(=CC(=C(C3)O)OC)C=3C(C1=CC(=C(C2)O)OC)=CC(=C(OCCCCCC)C3)OCCCCCC