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2-dodecyl-6-methyl-N-(quinolin-8-yl)benzamide
SpectraBase Compound ID L4KEU0z5jW5
InChI InChI=1S/C29H38N2O/c1-3-4-5-6-7-8-9-10-11-12-17-24-18-13-16-23(2)27(24)29(32)31-26-21-14-19-25-20-15-22-30-28(25)26/h13-16,18-22H,3-12,17H2,1-2H3,(H,31,32)
InChIKey DTJMRPNXQGFBNM-UHFFFAOYSA-N
Mol Weight 430.6 g/mol
Molecular Formula C29H38N2O
Exact Mass 430.298414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5xc9UaoPJ5
Name 2-dodecyl-6-methyl-N-(quinolin-8-yl)benzamide
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.298413851 u
Formula C29H38N2O
InChI InChI=1S/C29H38N2O/c1-3-4-5-6-7-8-9-10-11-12-17-24-18-13-16-23(2)27(24)29(32)31-26-21-14-19-25-20-15-22-30-28(25)26/h13-16,18-22H,3-12,17H2,1-2H3,(H,31,32)
InChIKey DTJMRPNXQGFBNM-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201901300
Molecular Weight 430.636 g/mol
Quality 93
Reported Formula C29H38N2O
SMILES N(C(C1=C(CCCCCCCCCCCC)C=CC=C1C)=O)C1=CC=CC2=C1N=CC=C2
SPLASH splash10-000j-0950200000-52352553377e83bb3070
Sample Comments linear:branched = 90:10
Source of Spectrum QE-25-SM26-4-1 (DOI: 10.1002/chem.201901300)
Thin-Layer Chromatography 0.38 (hexane/EtOAc, 5:1)
Wiley ID 1891519