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Methyl 5-N-[(1-phenylcyclohexyl)amino]pentanoate

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

Methyl 5-N-[(1-phenylcyclohexyl)amino]pentanoate
SpectraBase Compound ID ARj0E8C0Go0
InChI InChI=1S/C18H27NO2/c1-21-17(20)12-6-9-15-19-18(13-7-3-8-14-18)16-10-4-2-5-11-16/h2,4-5,10-11,19H,3,6-9,12-15H2,1H3
InChIKey MRFOKECYLDNIJY-UHFFFAOYSA-N
Mol Weight 289.42 g/mol
Molecular Formula C18H27NO2
Exact Mass 289.204179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cn6g9vb005a
Name Methyl 5-N-[(1-phenylcyclohexyl)amino]pentanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.204179111 u
Formula C18H27NO2
InChI InChI=1S/C18H27NO2/c1-21-17(20)12-6-9-15-19-18(13-7-3-8-14-18)16-10-4-2-5-11-16/h2,4-5,10-11,19H,3,6-9,12-15H2,1H3
InChIKey MRFOKECYLDNIJY-UHFFFAOYSA-N
SMILES C1(C2=CC=CC=C2)(NCCCCC(=O)OC)CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922004