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n-Heptyl-2-(3-[(heptyl-methyl-carbamoyl)-methoxy]-quinoxalin-2-yloxy)-N-methyl-acetamide
SpectraBase Compound ID 3bCIS4otRsl
InChI InChI=1S/C28H44N4O4/c1-5-7-9-11-15-19-31(3)25(33)21-35-27-28(30-24-18-14-13-17-23(24)29-27)36-22-26(34)32(4)20-16-12-10-8-6-2/h13-14,17-18H,5-12,15-16,19-22H2,1-4H3
InChIKey ODCBNHWDANHFLO-UHFFFAOYSA-N
Mol Weight 500.7 g/mol
Molecular Formula C28H44N4O4
Exact Mass 500.336256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3YAwyEo177B
Name N-Heptyl-2-(3-[(heptyl-methyl-carbamoyl)-methoxy]-quinoxalin-2-yloxy)-N-methyl-acetamide
Comments Computed using HOSE algorithm
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Exact Mass 500.336255909 u
Formula C28H44N4O4
InChI InChI=1S/C28H44N4O4/c1-5-7-9-11-15-19-31(3)25(33)21-35-27-28(30-24-18-14-13-17-23(24)29-27)36-22-26(34)32(4)20-16-12-10-8-6-2/h13-14,17-18H,5-12,15-16,19-22H2,1-4H3
InChIKey ODCBNHWDANHFLO-UHFFFAOYSA-N
Molecular Weight 500.684 g/mol
SMILES CCCCCCCN(C)C(COC1=NC2=CC=CC=C2N=C1OCC(=O)N(C)CCCCCCC)=O