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N-[2-(3,4-Dimethoxyphenyl)ethyl]-N-(1,1-dimethyl-3-thien-2-ylprop-2-ynyl)malonamic acid ethyl ester
SpectraBase Compound ID Bqq5eABQh9p
InChI InChI=1S/C24H29NO5S/c1-6-30-23(27)17-22(26)25(24(2,3)13-11-19-8-7-15-31-19)14-12-18-9-10-20(28-4)21(16-18)29-5/h7-10,15-16H,6,12,14,17H2,1-5H3
InChIKey SLUJWMVBWCTZGQ-UHFFFAOYSA-N
Mol Weight 443.56 g/mol
Molecular Formula C24H29NO5S
Exact Mass 443.176644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbLnPenLbwE
Name N-[2-(3,4-Dimethoxyphenyl)ethyl]-N-(1,1-dimethyl-3-thien-2-ylprop-2-ynyl)malonamic acid ethyl ester
Alternate Name(s) Ethyl 3-{[2-(3,4-dimethoxyphenyl)ethyl][1,1-dimethyl-3-(2-thienyl)-2-propynyl]amino}-3-oxopropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H29NO5S
InChI InChI=1S/C24H29NO5S/c1-6-30-23(27)17-22(26)25(24(2,3)13-11-19-8-7-15-31-19)14-12-18-9-10-20(28-4)21(16-18)29-5/h7-10,15-16H,6,12,14,17H2,1-5H3
InChIKey SLUJWMVBWCTZGQ-UHFFFAOYSA-N
Molecular Weight 443.558 g/mol
SMILES C(CC(=O)N(C(C#Cc1cccs1)(C)C)CCc1cc(c(cc1)OC)OC)(=O)OCC
SPLASH splash10-0002-0009000000-31c13d1c32acf4e0163c
Source of Spectrum F4-0-2027-4
Wiley ID 1619933