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3-{4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-yl}hexan-2-one
SpectraBase Compound ID K117f0vvAvG
InChI InChI=1S/C19H26N2O/c1-2-8-16(18(20)22)17-15-10-5-4-9-14(15)13-19(21-17)11-6-3-7-12-19/h4-5,9-10,16H,2-3,6-8,11-13H2,1H3,(H2,20,22)
InChIKey QMCLDAYMXJVDHJ-UHFFFAOYSA-N
Mol Weight 298.43 g/mol
Molecular Formula C19H26N2O
Exact Mass 298.204513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnT4LZaNgD7
Name 2-(3-Spirocyclohexyl-3,4-dihydro-isoquinolin-1-yl)-pentanoic acid amide
Alternate Name(s) 2-(1-spiro[4H-isoquinoline-3,1'-cyclohexane]yl)pentanamide 2-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylpentanamide 2-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylvaleramide
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Formula C19H26N2O
InChI InChI=1S/C19H26N2O/c1-2-8-16(18(20)22)17-15-10-5-4-9-14(15)13-19(21-17)11-6-3-7-12-19/h4-5,9-10,16H,2-3,6-8,11-13H2,1H3,(H2,20,22)
InChIKey QMCLDAYMXJVDHJ-UHFFFAOYSA-N
Molecular Weight 298.430 g/mol
SMILES NC(C(C1=NC2(CCCCC2)Cc2c1cccc2)CCC)=O
SPLASH splash10-0a4i-2980000000-1358eb083c8695058aaf
Wiley ID 1438139