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3-Chloranyl-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acid
SpectraBase Compound ID CRTN9620s18
InChI InChI=1S/C19H26ClNO3/c1-12(2)13(3)7-8-19(11-24-4)17(20)10-15-9-14(18(22)23)5-6-16(15)21-19/h5-6,9,17,21H,7-8,10-11H2,1-4H3,(H,22,23)/t17-,19-/m1/s1
InChIKey FWINDTDIQJWMLC-IEBWSBKVSA-N
Mol Weight 351.87 g/mol
Molecular Formula C19H26ClNO3
Exact Mass 351.160121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtAuy8imCNd
Name 3-Chloranyl-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acid
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Formula C19H26ClNO3
InChI InChI=1S/C19H26ClNO3/c1-12(2)13(3)7-8-19(11-24-4)17(20)10-15-9-14(18(22)23)5-6-16(15)21-19/h5-6,9,17,21H,7-8,10-11H2,1-4H3,(H,22,23)/t17-,19-/m1/s1
InChIKey FWINDTDIQJWMLC-IEBWSBKVSA-N
Molecular Weight 351.874 g/mol
SMILES N1c2ccc(C(=O)O)cc2C[C@]([C@@]1(CCC(=C(C)C)C)COC)(Cl)[H]
SPLASH splash10-059x-9211000000-47ae75eab8954b24ed69
Source of Spectrum F-52-10650-1
Synonyms (2R,3R)-3-chloranyl-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acid (2R,3R)-3-chloro-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acid 3-Chloro-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acid
Wiley ID 798147