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ethyl 4-((3,3-dichloro-1-(4-methoxyphenyl)propyl)amino)benzoate
SpectraBase Compound ID 5zSl7R4tgg8
InChI InChI=1S/C19H21Cl2NO3/c1-3-25-19(23)14-4-8-15(9-5-14)22-17(12-18(20)21)13-6-10-16(24-2)11-7-13/h4-11,17-18,22H,3,12H2,1-2H3
InChIKey PNCANPPERXVGNQ-UHFFFAOYSA-N
Mol Weight 382.29 g/mol
Molecular Formula C19H21Cl2NO3
Exact Mass 381.089849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GB9nUgDjtBt
Name ethyl 4-((3,3-dichloro-1-(4-methoxyphenyl)propyl)amino)benzoate
Appearance Colorless oil
Carrier Gas Nitrogen
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Exact Mass 381.089848937 u
Formula C19H21Cl2NO3
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C19H21Cl2NO3/c1-3-25-19(23)14-4-8-15(9-5-14)22-17(12-18(20)21)13-6-10-16(24-2)11-7-13/h4-11,17-18,22H,3,12H2,1-2H3
InChIKey PNCANPPERXVGNQ-UHFFFAOYSA-N
Instrument Name Shimadzu 2014
Ionization Type EI
Literature Reference DOI 10.1002/chem.202203079
Molecular Weight 382.287 g/mol
Quality 37
Reported Formula C19H21Cl2NO3
SMILES N(C1=CC=C(C(OCC)=O)C=C1)C(CC(Cl)Cl)C1=CC=C(C=C1)OC
SPLASH splash10-05o0-0293000000-835123e644e75e2b2048
Source of Spectrum QE-29-SM4-4j (DOI: 10.1002/chem.202203079)
Wiley ID 1909402