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3'-Methoxy-5'-propylphenyl 2-hydroxy-4-methoxy-6-propylbenzoate

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

3'-Methoxy-5'-propylphenyl 2-hydroxy-4-methoxy-6-propylbenzoate
SpectraBase Compound ID 1r473LdSOCu
InChI InChI=1S/C21H26O5/c1-5-7-14-9-16(24-3)12-18(10-14)26-21(23)20-15(8-6-2)11-17(25-4)13-19(20)22/h9-13,22H,5-8H2,1-4H3
InChIKey JKMXDCXIFDAEJT-UHFFFAOYSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KOn1opCtRcU
Name 3'-Methoxy-5'-propylphenyl 2-hydroxy-4-methoxy-6-propylbenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.178023932 u
Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-5-7-14-9-16(24-3)12-18(10-14)26-21(23)20-15(8-6-2)11-17(25-4)13-19(20)22/h9-13,22H,5-8H2,1-4H3
InChIKey JKMXDCXIFDAEJT-UHFFFAOYSA-N
Molecular Weight 358.434 g/mol
SMILES C=1(C(OC=2C=C(OC)C=C(C2)CCC)=O)C(=CC(=CC1CCC)OC)O