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(7R,8R,8aR)-1-isopropyl-8-(phenylcarbamoyl)-3,4,6,7,8,8a-hexahydro-2H-quinoline-7-carboxylic acid methyl ester
SpectraBase Compound ID D9xthagS6DR
InChI InChI=1S/C21H28N2O3/c1-14(2)23-13-7-8-15-11-12-17(21(25)26-3)18(19(15)23)20(24)22-16-9-5-4-6-10-16/h4-6,9-11,14,17-19H,7-8,12-13H2,1-3H3,(H,22,24)/t17-,18-,19+/m1/s1
InChIKey KFMXRPWQVQKCMY-QRVBRYPASA-N
Mol Weight 356.47 g/mol
Molecular Formula C21H28N2O3
Exact Mass 356.209993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RAcyWiKVzs
Name (7R,8R,8aR)-1-isopropyl-8-(phenylcarbamoyl)-3,4,6,7,8,8a-hexahydro-2H-quinoline-7-carboxylic acid methyl ester
Alternate Name(s) (7R,8R,8aR)-8-[anilino(oxo)methyl]-1-propan-2-yl-3,4,6,7,8,8a-hexahydro-2H-quinoline-7-carboxylic acid methyl ester Methyl (7R,8R,8aR)-1-isopropyl-8-(phenylcarbamoyl)-3,4,6,7,8,8a-hexahydro-2H-quinoline-7-carboxylate Methyl (7R,8R,8aR)-8-(phenylcarbamoyl)-1-propan-2-yl-3,4,6,7,8,8a-hexahydro-2H-quinoline-7-carboxylate
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Formula C21H28N2O3
InChI InChI=1S/C21H28N2O3/c1-14(2)23-13-7-8-15-11-12-17(21(25)26-3)18(19(15)23)20(24)22-16-9-5-4-6-10-16/h4-6,9-11,14,17-19H,7-8,12-13H2,1-3H3,(H,22,24)/t17-,18-,19+/m1/s1
InChIKey KFMXRPWQVQKCMY-QRVBRYPASA-N
Molecular Weight 356.466 g/mol
SMILES N(C([C@]1([C@]2(N(C(C)C)CCCC2=CC[C@]1(C(=O)OC)[H])[H])[H])=O)c1ccccc1
SPLASH splash10-0udi-1900000000-a97af68a088c97bd4a17
Source of Spectrum F-54-2573-11
Wiley ID 806049