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4-Butyl-N-cyclohexyl-3-hydroxyisoquinoline-1-carboxamide
SpectraBase Compound ID FzWjwV1ptCk
InChI InChI=1S/C20H26N2O2/c1-2-3-11-17-15-12-7-8-13-16(15)18(22-19(17)23)20(24)21-14-9-5-4-6-10-14/h7-8,12-14H,2-6,9-11H2,1H3,(H,21,24)(H,22,23)
InChIKey SWALCNPMAODWII-UHFFFAOYSA-N
Mol Weight 326.44 g/mol
Molecular Formula C20H26N2O2
Exact Mass 326.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69G0Ch7KBfs
Name 4-Butyl-N-cyclohexyl-3-hydroxyisoquinoline-1-carboxamide
Appearance White solid
Carrier Gas (1.0 mLmin-1)
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Exact Mass 326.199428083 u
Formula C20H26N2O2
GC Column HP-1 column
GC Oven Program Oven temp 170oC
InChI InChI=1S/C20H26N2O2/c1-2-3-11-17-15-12-7-8-13-16(15)18(22-19(17)23)20(24)21-14-9-5-4-6-10-14/h7-8,12-14H,2-6,9-11H2,1H3,(H,21,24)(H,22,23)
InChIKey SWALCNPMAODWII-UHFFFAOYSA-N
Instrument Name GC-MS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201404209
Quality 108
Reported Formula C20H26N2O2
SMILES OC1=C(C=2C=CC=CC2C(C(=O)NC2CCCCC2)=N1)CCCC
SPLASH splash10-0002-9200000000-733be4b8bd05b5b2ed14
Source of Spectrum QE-21-SM7-16c (DOI: 10.1002/chem.201404209)
Thin-Layer Chromatography 0.27 (PE/Et2O 3:1)
Wiley ID 1906478