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tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, N-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]-

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tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, N-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]-
SpectraBase Compound ID JwJjji1LlMB
InChI InChI=1S/C31H38N2O3/c34-29(20-36-28-12-6-25(7-13-28)24-4-2-1-3-5-24)32-26-8-10-27(11-9-26)33-30(35)31-17-21-14-22(18-31)16-23(15-21)19-31/h6-13,21-24H,1-5,14-20H2,(H,32,34)(H,33,35)
InChIKey UTHFSOKMRLWWOQ-UHFFFAOYSA-N
Mol Weight 486.7 g/mol
Molecular Formula C31H38N2O3
Exact Mass 486.288243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DG6UBxTib72
Name Tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, N-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.288243089 u
Formula C31H38N2O3
InChI InChI=1S/C31H38N2O3/c34-29(20-36-28-12-6-25(7-13-28)24-4-2-1-3-5-24)32-26-8-10-27(11-9-26)33-30(35)31-17-21-14-22(18-31)16-23(15-21)19-31/h6-13,21-24H,1-5,14-20H2,(H,32,34)(H,33,35)
InChIKey UTHFSOKMRLWWOQ-UHFFFAOYSA-N
Molecular Weight 486.656 g/mol
SMILES N(C(C12CC3CC(C2)CC(C1)C3)=O)C1=CC=C(NC(=O)COC=2C=CC(=CC2)C2CCCCC2)C=C1