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2-[2-[2-(3-ketocyclohexen-1-yl)-4,5-dimethoxy-phenyl]ethylamino]acetic acid ethyl ester
SpectraBase Compound ID 2dWkgNfiJGG
InChI InChI=1S/C20H27NO5/c1-4-26-20(23)13-21-9-8-15-11-18(24-2)19(25-3)12-17(15)14-6-5-7-16(22)10-14/h10-12,21H,4-9,13H2,1-3H3
InChIKey MJWGRMVOGZGXQQ-UHFFFAOYSA-N
Mol Weight 361.44 g/mol
Molecular Formula C20H27NO5
Exact Mass 361.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LNwmXYS1qVQ
Name 2-[2-[2-(3-ketocyclohexen-1-yl)-4,5-dimethoxy-phenyl]ethylamino]acetic acid ethyl ester
CAS Registry Number 107442-02-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO5
InChI InChI=1S/C20H27NO5/c1-4-26-20(23)13-21-9-8-15-11-18(24-2)19(25-3)12-17(15)14-6-5-7-16(22)10-14/h10-12,21H,4-9,13H2,1-3H3
InChIKey MJWGRMVOGZGXQQ-UHFFFAOYSA-N
Molecular Weight 361.438 g/mol
SMILES N(CCc1c(C2=CC(=O)CCC2)cc(OC)c(c1)OC)CC(=O)OCC
SPLASH splash10-00kb-0093000000-bcbd1bf5bbf1c2f7501e
Source of Spectrum J-52-1481-18
Synonyms 2-[2-[4,5-dimethoxy-2-(3-oxo-1-cyclohexenyl)phenyl]ethylamino]acetic acid ethyl ester Ethyl 2-[2-[4,5-dimethoxy-2-(3-oxidanylidenecyclohexen-1-yl)phenyl]ethylamino]ethanoate Ethyl 2-[2-[4,5-dimethoxy-2-(3-oxocyclohexen-1-yl)phenyl]ethylamino]acetate
Wiley ID 1349002