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2,4-Dinitro-6-(1-ethylhexyl)phenol, compound with dicyclohexylamine (1:1)
SpectraBase Compound ID 5JBdWhysW6h
InChI InChI=1S/C14H20N2O5.C12H23N/c1-3-5-6-7-10(4-2)12-8-11(15(18)19)9-13(14(12)17)16(20)21;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8-10,17H,3-7H2,1-2H3;11-13H,1-10H2
InChIKey WSGHQNMLDMHFSD-UHFFFAOYSA-N
Mol Weight 477.65 g/mol
Molecular Formula C26H43N3O5
Exact Mass 477.320271 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HtrxjdgQNzd
Name 2,4-Dinitro-6-(1-ethylhexyl)phenol, compound with dicyclohexylamine (1:1)
Comments Computed using HOSE algorithm
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Exact Mass 477.320271492 u
Formula C26H43N3O5
InChI InChI=1S/C14H20N2O5.C12H23N/c1-3-5-6-7-10(4-2)12-8-11(15(18)19)9-13(14(12)17)16(20)21;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8-10,17H,3-7H2,1-2H3;11-13H,1-10H2
InChIKey WSGHQNMLDMHFSD-UHFFFAOYSA-N
Molecular Weight 477.646 g/mol
SMILES N(=O)(=O)C=1C(=C(C=C(C1)N(=O)=O)C(CCCCC)CC)O.N(C1CCCCC1)C1CCCCC1