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(N,N')-Didecylquinoline-2,3-dicarboxamide
SpectraBase Compound ID 3Fujhw40xK4
InChI InChI=1S/C31H49N3O2/c1-3-5-7-9-11-13-15-19-23-32-30(35)27-25-26-21-17-18-22-28(26)34-29(27)31(36)33-24-20-16-14-12-10-8-6-4-2/h17-18,21-22,25H,3-16,19-20,23-24H2,1-2H3,(H,32,35)(H,33,36)
InChIKey MRNWFZAAIOHJGQ-UHFFFAOYSA-N
Mol Weight 495.8 g/mol
Molecular Formula C31H49N3O2
Exact Mass 495.382478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnDzJyESaQ9
Name (N,N')-Didecylquinoline-2,3-dicarboxamide
Appearance White solid
Carrier Gas Helium
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Exact Mass 495.382477828 u
Formula C31H49N3O2
GC Oven Program Oven temp 320oC
InChI InChI=1S/C31H49N3O2/c1-3-5-7-9-11-13-15-19-23-32-30(35)27-25-26-21-17-18-22-28(26)34-29(27)31(36)33-24-20-16-14-12-10-8-6-4-2/h17-18,21-22,25H,3-16,19-20,23-24H2,1-2H3,(H,32,35)(H,33,36)
InChIKey MRNWFZAAIOHJGQ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-2020
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202201374
Molecular Weight 495.752 g/mol
Quality 148
Reported Formula C31H49N3O
SMILES N(C(C=1C(C(=O)NCCCCCCCCCC)=NC=2C=CC=CC2C1)=O)CCCCCCCCCC
SPLASH splash10-03di-0792000000-beb8bd06cc52ee1d0ef7
Source of Spectrum K1-26-SM13-4i (DOI: 10.1002/ejoc.202201374)
Thin-Layer Chromatography 0.4 (n-Hexan/EtOAc, 80:20)
Wiley ID 1910421