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2-[4'-(2""-Phenoxypropyloxy)benzyl]cyclohexan-1-ol
SpectraBase Compound ID DKlBTSLLflU
InChI InChI=1S/C22H28O3/c1-17(25-21-8-3-2-4-9-21)16-24-20-13-11-18(12-14-20)15-19-7-5-6-10-22(19)23/h2-4,8-9,11-14,17,19,22-23H,5-7,10,15-16H2,1H3
InChIKey PFIXRMXLFDLOCA-UHFFFAOYSA-N
Mol Weight 340.46 g/mol
Molecular Formula C22H28O3
Exact Mass 340.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8gPTkc54d0q
Name 2-[4'-(2""-Phenoxypropyloxy)benzyl]cyclohexan-1-ol
Comments Computed using HOSE algorithm
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Exact Mass 340.203844759 u
Formula C22H28O3
InChI InChI=1S/C22H28O3/c1-17(25-21-8-3-2-4-9-21)16-24-20-13-11-18(12-14-20)15-19-7-5-6-10-22(19)23/h2-4,8-9,11-14,17,19,22-23H,5-7,10,15-16H2,1H3
InChIKey PFIXRMXLFDLOCA-UHFFFAOYSA-N
Molecular Weight 340.463 g/mol
SMILES C1(CC2=CC=C(OCC(OC3=CC=CC=C3)C)C=C2)C(O)CCCC1