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3-[2-(2-Bromo-4,5-dimethoxyphenyl)-N-ethylethylamino]-5,5-dimethylcyclohex-2-en-1-one
SpectraBase Compound ID APgQNHHDjki
InChI InChI=1S/C20H28BrNO3/c1-6-22(15-10-16(23)13-20(2,3)12-15)8-7-14-9-18(24-4)19(25-5)11-17(14)21/h9-11H,6-8,12-13H2,1-5H3
InChIKey KLPZXOOOEWLOGN-UHFFFAOYSA-N
Mol Weight 410.35 g/mol
Molecular Formula C20H28BrNO3
Exact Mass 409.125257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cHhiirHM5r
Name 3-[2-(2-Bromo-4,5-dimethoxyphenyl)-N-ethylethylamino]-5,5-dimethylcyclohex-2-en-1-one
CAS Registry Number 68890-31-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28BrNO3
InChI InChI=1S/C20H28BrNO3/c1-6-22(15-10-16(23)13-20(2,3)12-15)8-7-14-9-18(24-4)19(25-5)11-17(14)21/h9-11H,6-8,12-13H2,1-5H3
InChIKey KLPZXOOOEWLOGN-UHFFFAOYSA-N
Molecular Weight 410.352 g/mol
SMILES C1(=CC(=O)CC(C1)(C)C)N(CCc1c(cc(c(c1)OC)OC)Br)CC
SPLASH splash10-001i-0029000000-5fd95f59ca08dbcffc0b
Source of Spectrum J-44-1079-0
Synonyms 3-[[2-(2-bromo-4,5-dimethoxyphenyl)ethyl](ethyl)amino]-5,5-dimethyl-2-cyclohexen-1-one
Wiley ID 1373296