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(2S*,3R*)-3-Chloro-2-(3,4-dimethyl-3-pentenyl)-6-ethoxycarbonyl-2-hydroxymethyl-1,2,3,4-tetrahydroquinoline
SpectraBase Compound ID EXvrAQwGqis
InChI InChI=1S/C20H28ClNO3/c1-5-25-19(24)15-6-7-17-16(10-15)11-18(21)20(12-23,22-17)9-8-14(4)13(2)3/h6-7,10,18,22-23H,5,8-9,11-12H2,1-4H3/t18-,20+/m1/s1
InChIKey JONMEXSWRREOFI-QUCCMNQESA-N
Mol Weight 365.9 g/mol
Molecular Formula C20H28ClNO3
Exact Mass 365.175771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOo0BBcLjRY
Name (2S*,3R*)-3-Chloro-2-(3,4-dimethyl-3-pentenyl)-6-ethoxycarbonyl-2-hydroxymethyl-1,2,3,4-tetrahydroquinoline
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Formula C20H28ClNO3
InChI InChI=1S/C20H28ClNO3/c1-5-25-19(24)15-6-7-17-16(10-15)11-18(21)20(12-23,22-17)9-8-14(4)13(2)3/h6-7,10,18,22-23H,5,8-9,11-12H2,1-4H3/t18-,20+/m1/s1
InChIKey JONMEXSWRREOFI-QUCCMNQESA-N
Molecular Weight 365.901 g/mol
SMILES N1c2c(C[C@]([C@@]1(CO)CCC(=C(C)C)C)(Cl)[H])cc(cc2)C(=O)OCC
SPLASH splash10-000x-9500000000-2543bab590d91ebda7cf
Source of Spectrum F-52-10628-43
Synonyms Ethyl (2S,3R)-3-chloro-2-(3,4-dimethyl-3-pentenyl)-2-(hydroxymethyl)-1,2,3,4-tetrahydro-6-quinolinecarboxylate
Wiley ID 798178