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4-Nitrophenyl 2-[(diisobutylamino)carbonyl]cyclohexanecarboxylate

View entire compound with spectra: 1 NMR, and 3 MS (GC)

4-Nitrophenyl 2-[(diisobutylamino)carbonyl]cyclohexanecarboxylate
SpectraBase Compound ID 1qrmyJS1qnl
InChI InChI=1S/C22H32N2O5/c1-15(2)13-23(14-16(3)4)21(25)19-7-5-6-8-20(19)22(26)29-18-11-9-17(10-12-18)24(27)28/h9-12,15-16,19-20H,5-8,13-14H2,1-4H3
InChIKey SBBUZOWFPVJIRO-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C22H32N2O5
Exact Mass 404.231122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JtVXfOE97cB
Name 4-Nitrophenyl 2-[(diisobutylamino)carbonyl]cyclohexanecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.231122133 u
Formula C22H32N2O5
InChI InChI=1S/C22H32N2O5/c1-15(2)13-23(14-16(3)4)21(25)19-7-5-6-8-20(19)22(26)29-18-11-9-17(10-12-18)24(27)28/h9-12,15-16,19-20H,5-8,13-14H2,1-4H3
InChIKey SBBUZOWFPVJIRO-UHFFFAOYSA-N
Molecular Weight 404.507 g/mol
SMILES C1(N(=O)=O)=CC=C(C=C1)OC(=O)C1CCCCC1C(=O)N(CC(C)C)CC(C)C