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(1R,2S)-N-(2-Acetylcyclohexyl)-N-benzyl-acetamide

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

(1R,2S)-N-(2-Acetylcyclohexyl)-N-benzyl-acetamide
SpectraBase Compound ID FnYGWMdpqNT
InChI InChI=1S/C17H23NO2/c1-13(19)16-10-6-7-11-17(16)18(14(2)20)12-15-8-4-3-5-9-15/h3-5,8-9,16-17H,6-7,10-12H2,1-2H3/t16-,17-/m1/s1
InChIKey FFKTZHABLWSSKV-IAGOWNOFSA-N
Mol Weight 273.38 g/mol
Molecular Formula C17H23NO2
Exact Mass 273.172879 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8qsV8DV8rMH
Name (1R,2S)-N-(2-Acetylcyclohexyl)-N-benzyl-acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 273.172878983 u
Formula C17H23NO2
InChI InChI=1S/C17H23NO2/c1-13(19)16-10-6-7-11-17(16)18(14(2)20)12-15-8-4-3-5-9-15/h3-5,8-9,16-17H,6-7,10-12H2,1-2H3/t16-,17-/m1/s1
InChIKey FFKTZHABLWSSKV-IAGOWNOFSA-N
SMILES [C@@]1(N(C(=O)C)CC2=CC=CC=C2)([C@@](C(=O)C)(CCCC1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97252