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2-Nitro-4-(1,1,3,3-tetramethylbutyl)phenol, compound with cyclohexylamine

View entire compound with spectra: 2 NMR, and 1 FTIR

2-Nitro-4-(1,1,3,3-tetramethylbutyl)phenol, compound with cyclohexylamine
SpectraBase Compound ID 3ULnQhsk7gl
InChI InChI=1S/C14H21NO3.C6H13N/c1-13(2,3)9-14(4,5)10-6-7-12(16)11(8-10)15(17)18;7-6-4-2-1-3-5-6/h6-8,16H,9H2,1-5H3;6H,1-5,7H2
InChIKey JEBYOQOUOWREJZ-UHFFFAOYSA-N
Mol Weight 350.5 g/mol
Molecular Formula C20H34N2O3
Exact Mass 350.256943 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7WUiaPdyISb
Name 2-Nitro-4-(1,1,3,3-tetramethylbutyl)phenol, compound with cyclohexylamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.256942960 u
Formula C20H34N2O3
InChI InChI=1S/C14H21NO3.C6H13N/c1-13(2,3)9-14(4,5)10-6-7-12(16)11(8-10)15(17)18;7-6-4-2-1-3-5-6/h6-8,16H,9H2,1-5H3;6H,1-5,7H2
InChIKey JEBYOQOUOWREJZ-UHFFFAOYSA-N
Molecular Weight 350.503 g/mol
SMILES OC=1C=CC(=CC1N(=O)=O)C(CC(C)(C)C)(C)C.NC1CCCCC1