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2-Diisobutylcarbamoyl-cyclohexanecarboxylic acid, decyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2-Diisobutylcarbamoyl-cyclohexanecarboxylic acid, decyl ester
SpectraBase Compound ID FmA5e0wir3d
InChI InChI=1S/C26H49NO3/c1-6-7-8-9-10-11-12-15-18-30-26(29)24-17-14-13-16-23(24)25(28)27(19-21(2)3)20-22(4)5/h21-24H,6-20H2,1-5H3
InChIKey SKYKMBQOFKIAML-UHFFFAOYSA-N
Mol Weight 423.7 g/mol
Molecular Formula C26H49NO3
Exact Mass 423.371244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KBz3KvImMZe
Name 2-Diisobutylcarbamoyl-cyclohexanecarboxylic acid, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 423.371244439 u
Formula C26H49NO3
InChI InChI=1S/C26H49NO3/c1-6-7-8-9-10-11-12-15-18-30-26(29)24-17-14-13-16-23(24)25(28)27(19-21(2)3)20-22(4)5/h21-24H,6-20H2,1-5H3
InChIKey SKYKMBQOFKIAML-UHFFFAOYSA-N
Molecular Weight 423.682 g/mol
SMILES CC(C)CN(CC(C)C)C(=O)C1CCCCC1C(=O)OCCCCCCCCCC