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4-quinolinecarboxamide, 2-(4-methoxyphenyl)-N-(4-phenylbutyl)-
SpectraBase Compound ID FCGrPrlh3Qe
InChI InChI=1S/C27H26N2O2/c1-31-22-16-14-21(15-17-22)26-19-24(23-12-5-6-13-25(23)29-26)27(30)28-18-8-7-11-20-9-3-2-4-10-20/h2-6,9-10,12-17,19H,7-8,11,18H2,1H3,(H,28,30)
InChIKey AHWGLASJZCYMKV-UHFFFAOYSA-N
Mol Weight 410.52 g/mol
Molecular Formula C27H26N2O2
Exact Mass 410.199428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GH0cUcfbu6F
Name 4-Quinolinecarboxamide, 2-(4-methoxyphenyl)-N-(4-phenylbutyl)-
Comments Computed using HOSE algorithm
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Exact Mass 410.199428083 u
Formula C27H26N2O2
InChI InChI=1S/C27H26N2O2/c1-31-22-16-14-21(15-17-22)26-19-24(23-12-5-6-13-25(23)29-26)27(30)28-18-8-7-11-20-9-3-2-4-10-20/h2-6,9-10,12-17,19H,7-8,11,18H2,1H3,(H,28,30)
InChIKey AHWGLASJZCYMKV-UHFFFAOYSA-N
Molecular Weight 410.517 g/mol
SMILES N(C(C=1C=C(C2=CC=C(C=C2)OC)N=C2C1C=CC=C2)=O)CCCCC1=CC=CC=C1