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Benzeneheptanoic acid, 2-[2-(acetylamino)ethyl]-4,5-dimethoxy-.eta.-oxo-, methyl ester
SpectraBase Compound ID DWWR7r3hJ8O
InChI InChI=1S/C20H29NO6/c1-14(22)21-11-10-15-12-18(25-2)19(26-3)13-16(15)17(23)8-6-5-7-9-20(24)27-4/h12-13H,5-11H2,1-4H3,(H,21,22)
InChIKey HKJOQVHINCSGDH-UHFFFAOYSA-N
Mol Weight 379.45 g/mol
Molecular Formula C20H29NO6
Exact Mass 379.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7FmfqDRv6eT
Name Benzeneheptanoic acid, 2-[2-(acetylamino)ethyl]-4,5-dimethoxy-.eta.-oxo-, methyl ester
Alternate Name(s) Methyl 7-{2-[2-(acetylamino)ethyl]-4,5-dimethoxyphenyl}-7-oxoheptanoate Methylester of 7-{2-[2-(acetylamino)ethyl]-4,5-dimethoxyphenyl}-7-oxoheptanoic acid
CAS Registry Number 78632-17-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO6
InChI InChI=1S/C20H29NO6/c1-14(22)21-11-10-15-12-18(25-2)19(26-3)13-16(15)17(23)8-6-5-7-9-20(24)27-4/h12-13H,5-11H2,1-4H3,(H,21,22)
InChIKey HKJOQVHINCSGDH-UHFFFAOYSA-N
Molecular Weight 379.453 g/mol
SMILES N(C(=O)C)CCc1c(cc(OC)c(c1)OC)C(=O)CCCCCC(=O)OC
SPLASH splash10-00fu-0529000000-f3d4611b447d605fb20e
Source of Spectrum K-114-2182-0
Wiley ID 1359253