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3'-Hydroxy-5'-pentylphenyl 2-hydroxy-4-methoxy-6-propylbenzoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3'-Hydroxy-5'-pentylphenyl 2-hydroxy-4-methoxy-6-propylbenzoate
SpectraBase Compound ID Euth9eQVfIi
InChI InChI=1S/C22H28O5/c1-4-6-7-9-15-10-17(23)13-19(11-15)27-22(25)21-16(8-5-2)12-18(26-3)14-20(21)24/h10-14,23-24H,4-9H2,1-3H3
InChIKey MWIZCESHZVQTKX-UHFFFAOYSA-N
Mol Weight 372.46 g/mol
Molecular Formula C22H28O5
Exact Mass 372.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FOFVGj0vmPK
Name 3'-Hydroxy-5'-pentylphenyl 2-hydroxy-4-methoxy-6-propylbenzoate
Comments Computed using HOSE algorithm
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Exact Mass 372.193673997 u
Formula C22H28O5
InChI InChI=1S/C22H28O5/c1-4-6-7-9-15-10-17(23)13-19(11-15)27-22(25)21-16(8-5-2)12-18(26-3)14-20(21)24/h10-14,23-24H,4-9H2,1-3H3
InChIKey MWIZCESHZVQTKX-UHFFFAOYSA-N
Molecular Weight 372.461 g/mol
SMILES C=1(C(OC=2C=C(O)C=C(C2)CCCCC)=O)C(=CC(=CC1CCC)OC)O