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Adipic acid (3',5'-Dimethoxybenzoin) ester Methyl ester
SpectraBase Compound ID Iqiz7XQKIXX
InChI InChI=1S/C23H26O7/c1-27-18-13-17(14-19(15-18)28-2)23(22(26)16-9-5-4-6-10-16)30-21(25)12-8-7-11-20(24)29-3/h4-6,9-10,13-15,23H,7-8,11-12H2,1-3H3
InChIKey PSOMSMVIRKAEKY-UHFFFAOYSA-N
Mol Weight 414.45 g/mol
Molecular Formula C23H26O7
Exact Mass 414.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZZqG9vNzF3
Name Adipic acid (3',5'-Dimethoxybenzoin) ester Methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O7
InChI InChI=1S/C23H26O7/c1-27-18-13-17(14-19(15-18)28-2)23(22(26)16-9-5-4-6-10-16)30-21(25)12-8-7-11-20(24)29-3/h4-6,9-10,13-15,23H,7-8,11-12H2,1-3H3
InChIKey PSOMSMVIRKAEKY-UHFFFAOYSA-N
Molecular Weight 414.454 g/mol
SMILES C(c1cc(OC)cc(c1)OC)(C(=O)c1ccccc1)OC(=O)CCCCC(=O)OC
SPLASH splash10-052f-0900000000-0c0e40eb8e33320ad786
Source of Spectrum J-67-5576-18
Synonyms 1-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl]6-methyl hexanedioate Hexanedioic acid O6-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ester O1-methyl ester 6-O-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] 1-O-methyl hexanedioate O6-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenyl-ethyl] O1-methyl hexanedioate O6-[1-(3,5-dimethoxyphenyl)-2-oxidanylidene-2-phenyl-ethyl] O1-methyl hexanedioate
Wiley ID 1570545