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4-(1-Methylhexyl)-2-nitrophenol, compound with cyclohexylamine(1:1)

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

4-(1-Methylhexyl)-2-nitrophenol, compound with cyclohexylamine(1:1)
SpectraBase Compound ID 1KWzooIXkly
InChI InChI=1S/C13H19NO3.C6H13N/c1-3-4-5-6-10(2)11-7-8-13(15)12(9-11)14(16)17;7-6-4-2-1-3-5-6/h7-10,15H,3-6H2,1-2H3;6H,1-5,7H2
InChIKey ZDYLLIORQNKPJR-UHFFFAOYSA-N
Mol Weight 336.48 g/mol
Molecular Formula C19H32N2O3
Exact Mass 336.241293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KqnxwXo6dt
Name 4-(1-Methylhexyl)-2-nitrophenol, compound with cyclohexylamine(1:1)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.241292895 u
Formula C19H32N2O3
InChI InChI=1S/C13H19NO3.C6H13N/c1-3-4-5-6-10(2)11-7-8-13(15)12(9-11)14(16)17;7-6-4-2-1-3-5-6/h7-10,15H,3-6H2,1-2H3;6H,1-5,7H2
InChIKey ZDYLLIORQNKPJR-UHFFFAOYSA-N
Molecular Weight 336.476 g/mol
SMILES OC=1C=CC(=CC1N(=O)=O)C(CCCCC)C.NC1CCCCC1