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benzyl 2'-O-methyllecanorate
SpectraBase Compound ID Ex1SCYQruiI
InChI InChI=1S/C24H22O7/c1-14-9-17(25)11-19(26)21(14)24(28)31-18-10-15(2)22(20(12-18)29-3)23(27)30-13-16-7-5-4-6-8-16/h4-12,25-26H,13H2,1-3H3
InChIKey MDZCPRCIIPFMLW-UHFFFAOYSA-N
Mol Weight 422.43 g/mol
Molecular Formula C24H22O7
Exact Mass 422.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jINEBuQTjd
Name benzyl 2'-O-methyllecanorate
Alternate Name(s) 3-Hydroxy-5-methyl-4-{[(2-methylbenzyl)oxy]carbonyl}phenyl 2,4-dihydroxy-6-methylbenzoate benzyl 4-{[(2,4-dihydroxy-6-methylphenyl)carbonyl]oxy}-2-methoxy-6-methylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22O7
InChI InChI=1S/C24H22O7/c1-14-9-17(25)11-19(26)21(14)24(28)31-18-10-15(2)22(20(12-18)29-3)23(27)30-13-16-7-5-4-6-8-16/h4-12,25-26H,13H2,1-3H3
InChIKey MDZCPRCIIPFMLW-UHFFFAOYSA-N
Molecular Weight 422.433 g/mol
SMILES Oc1cc(c(c(c1)O)C(Oc1cc(OC)c(c(c1)C)C(OCc1ccccc1)=O)=O)C
SPLASH splash10-014l-8900000000-dd5da29b43bab8d3fa0d
Source of Spectrum B-48-1761-0
Wiley ID 1378629