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Heptanoic acid, 7-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-7-oxo-, methyl ester
SpectraBase Compound ID 9oYwbXz8ggc
InChI InChI=1S/C18H27NO5/c1-22-15-10-9-14(13-16(15)23-2)11-12-19-17(20)7-5-4-6-8-18(21)24-3/h9-10,13H,4-8,11-12H2,1-3H3,(H,19,20)
InChIKey XIUCMZDKZNVYAE-UHFFFAOYSA-N
Mol Weight 337.42 g/mol
Molecular Formula C18H27NO5
Exact Mass 337.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cxque9uBdQT
Name Heptanoic acid, 7-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-7-oxo-, methyl ester
CAS Registry Number 78632-03-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO5
InChI InChI=1S/C18H27NO5/c1-22-15-10-9-14(13-16(15)23-2)11-12-19-17(20)7-5-4-6-8-18(21)24-3/h9-10,13H,4-8,11-12H2,1-3H3,(H,19,20)
InChIKey XIUCMZDKZNVYAE-UHFFFAOYSA-N
Molecular Weight 337.416 g/mol
SMILES N(C(=O)CCCCCC(=O)OC)CCc1cc(c(cc1)OC)OC
SPLASH splash10-014i-0902000000-da930027fa733b86adf4
Source of Spectrum K-114-2178-0
Synonyms Methyl 7-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-7-oxoheptanoate Methyl ester(3,4-dimethoxy,phenyl)ethyl amide derivative of heptan-1,6-dioic acid
Wiley ID 1333080