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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TyXWmccoQz
Name 3'-methoxy-5'-propylphenyl 2-hydroxy-4-methoxy-6-propylbenzoate
Alternate Name(s) 3-Methoxy-5-propylphenyl 2-hydroxy-4-methoxy-6-propylbenzoate Decarboxy-2'-O-methyldivaricatic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 Oc1c(C(Oc2cc(OC)cc(c2)CCC)=O)c(cc(OC)c1)CCC
SPLASH splash10-0006-0901000000-12840822179b57bf7bf2
Source of Spectrum JA-50-1145-0
Wiley ID 1347201