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5-Nitro-2-{2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline
SpectraBase Compound ID K1yWKCJyTw5
InChI InChI=1S/C22H30N2O4/c1-21(2,3)15-22(4,5)16-6-9-18(10-7-16)27-12-13-28-20-11-8-17(24(25)26)14-19(20)23/h6-11,14H,12-13,15,23H2,1-5H3
InChIKey PRTJCUHFMZJVNQ-UHFFFAOYSA-N
Mol Weight 386.49 g/mol
Molecular Formula C22H30N2O4
Exact Mass 386.220557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9DLKcVBpWAE
Name 5-Nitro-2-{2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline
Comments Computed using HOSE algorithm
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Exact Mass 386.220557450 u
Formula C22H30N2O4
InChI InChI=1S/C22H30N2O4/c1-21(2,3)15-22(4,5)16-6-9-18(10-7-16)27-12-13-28-20-11-8-17(24(25)26)14-19(20)23/h6-11,14H,12-13,15,23H2,1-5H3
InChIKey PRTJCUHFMZJVNQ-UHFFFAOYSA-N
Molecular Weight 386.492 g/mol
SMILES N(=O)(=O)C1=CC=C(C(=C1)N)OCCOC1=CC=C(C=C1)C(CC(C)(C)C)(C)C