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N-Isobutyl 3-cyclohexyl-(2E)-propenoic acid amide

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

N-Isobutyl 3-cyclohexyl-(2E)-propenoic acid amide
SpectraBase Compound ID GLXQ0SYtAFF
InChI InChI=1S/C13H23NO/c1-11(2)10-14-13(15)9-8-12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3,(H,14,15)/b9-8+
InChIKey ZDAOEAXQFSNOIR-CMDGGOBGSA-N
Mol Weight 209.33 g/mol
Molecular Formula C13H23NO
Exact Mass 209.177964 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Aw3LNrxVtuZ
Name N-Isobutyl 3-cyclohexyl-(2E)-propenoic acid amide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 209.177964364 u
Formula C13H23NO
InChI InChI=1S/C13H23NO/c1-11(2)10-14-13(15)9-8-12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3,(H,14,15)/b9-8+
InChIKey ZDAOEAXQFSNOIR-CMDGGOBGSA-N
Molecular Weight 209.333 g/mol
SMILES C(\C=C\C1CCCCC1)(=O)NCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.88228