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Benzoic acid, 3-[(2,4-dimethoxy-6-propylbenzoyl)oxy]-2-hydroxy-4-methoxy-6-pentyl-
SpectraBase Compound ID 3gtGpyhJH9M
InChI InChI=1S/C25H32O8/c1-6-8-9-11-16-13-19(32-5)23(22(26)21(16)24(27)28)33-25(29)20-15(10-7-2)12-17(30-3)14-18(20)31-4/h12-14,26H,6-11H2,1-5H3,(H,27,28)
InChIKey GOWJVQGHIKADDP-UHFFFAOYSA-N
Mol Weight 460.5 g/mol
Molecular Formula C25H32O8
Exact Mass 460.209718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BOIzgbbVrC
Name Benzoic acid, 3-[(2,4-dimethoxy-6-propylbenzoyl)oxy]-2-hydroxy-4-methoxy-6-pentyl-
CAS Registry Number 548-85-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O8
InChI InChI=1S/C25H32O8/c1-6-8-9-11-16-13-19(32-5)23(22(26)21(16)24(27)28)33-25(29)20-15(10-7-2)12-17(30-3)14-18(20)31-4/h12-14,26H,6-11H2,1-5H3,(H,27,28)
InChIKey GOWJVQGHIKADDP-UHFFFAOYSA-N
Molecular Weight 460.523 g/mol
SMILES Oc1c(C(=O)O)c(cc(c1OC(c1c(cc(cc1CCC)OC)OC)=O)OC)CCCCC
SPLASH splash10-0a4i-2690000000-9cc3c21ee84faff07e51
Source of Spectrum B-28-409-0
Synonyms 3-[(2,4-dimethoxy-6-propylbenzoyl)oxy]-2-hydroxy-4-methoxy-6-pentylbenzoic acid Boninic acid Cryptochlorophaeic acid O-pyrocatechuic acid, 4-methoxy-6-pentyl-, 3-(2,4-dimethoxy-6-propylbenzoate) 3-[(2,4-dimethoxy-6-propylphenyl)-oxomethoxy]-2-hydroxy-4-methoxy-6-pentylbenzoic acid 3-(2,4-dimethoxy-6-propylbenzoyl)oxy-2-hydroxy-4-methoxy-6-pentylbenzoic acid 3-(2,4-dimethoxy-6-propyl-benzoyl)oxy-2-hydroxy-4-methoxy-6-pentyl-benzoic acid 3-(2,4-dimethoxy-6-propyl-phenyl)carbonyloxy-4-methoxy-2-oxidanyl-6-pentyl-benzoic acid
Wiley ID 1390478