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Pimelic acid (3',5'-Dimethoxybenzoin) ester Methyl ester
SpectraBase Compound ID 717ZC36DATf
InChI InChI=1S/C24H28O7/c1-28-19-14-18(15-20(16-19)29-2)24(23(27)17-10-6-4-7-11-17)31-22(26)13-9-5-8-12-21(25)30-3/h4,6-7,10-11,14-16,24H,5,8-9,12-13H2,1-3H3
InChIKey OVPAMNWSQXPWDR-UHFFFAOYSA-N
Mol Weight 428.48 g/mol
Molecular Formula C24H28O7
Exact Mass 428.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hi3ljWXJab3
Name Pimelic acid (3',5'-Dimethoxybenzoin) ester Methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28O7
InChI InChI=1S/C24H28O7/c1-28-19-14-18(15-20(16-19)29-2)24(23(27)17-10-6-4-7-11-17)31-22(26)13-9-5-8-12-21(25)30-3/h4,6-7,10-11,14-16,24H,5,8-9,12-13H2,1-3H3
InChIKey OVPAMNWSQXPWDR-UHFFFAOYSA-N
Molecular Weight 428.481 g/mol
SMILES C(c1cc(OC)cc(c1)OC)(C(=O)c1ccccc1)OC(=O)CCCCCC(=O)OC
SPLASH splash10-0a4i-0900000000-a6c8f600b41164f0fe0b
Source of Spectrum J-67-5576-18
Synonyms 1-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl]7-methyl pimelate
Wiley ID 1570543