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Benzoic acid, 2-(2,4-dimethoxy-6-pentylphenoxy)-4-methoxy-6-(1-methyl-2-oxoheptyl)- , methyl ester
SpectraBase Compound ID CSazrJmfVXg
InChI InChI=1S/C30H42O7/c1-8-10-12-14-21-16-22(33-4)19-27(35-6)29(21)37-26-18-23(34-5)17-24(28(26)30(32)36-7)20(3)25(31)15-13-11-9-2/h16-20H,8-15H2,1-7H3
InChIKey VXBGWOYDVGPQFH-UHFFFAOYSA-N
Mol Weight 514.7 g/mol
Molecular Formula C30H42O7
Exact Mass 514.293054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dvk5iAnTSvf
Name Benzoic acid, 2-(2,4-dimethoxy-6-pentylphenoxy)-4-methoxy-6-(1-methyl-2-oxoheptyl)- , methyl ester
Alternate Name(s) methyl 2-(2,4-dimethoxy-6-pentylphenoxy)-4-methoxy-6-(1-methyl-2-oxoheptyl)benzoate Methyl 4-methoxy-2-(2',4'-dimethoxy-6'-pentylphenoxy)-6-(1''-methyl-2''-oxoheptyl)benzoate Methyl 4-methoxy-2-(2',4'-dimethoxy-6'-pentylphenoxy)-6-(1''-methyl-2''-oxoheptyl)benzoate
CAS Registry Number 39581-40-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H42O7
InChI InChI=1S/C30H42O7/c1-8-10-12-14-21-16-22(33-4)19-27(35-6)29(21)37-26-18-23(34-5)17-24(28(26)30(32)36-7)20(3)25(31)15-13-11-9-2/h16-20H,8-15H2,1-7H3
InChIKey VXBGWOYDVGPQFH-UHFFFAOYSA-N
Molecular Weight 514.659 g/mol
SMILES c1(c(C(C(=O)CCCCC)C)cc(cc1Oc1c(cc(cc1CCCCC)OC)OC)OC)C(=O)OC
SPLASH splash10-0002-0900040000-360e933e99d5a3c7e0c7
Source of Spectrum B-28-1575-0
Wiley ID 1401159