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(E)-2-Benzylidene-N-isobutylpentanamide

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

(E)-2-Benzylidene-N-isobutylpentanamide
SpectraBase Compound ID 56PXT5MWrNz
InChI InChI=1S/C16H23NO/c1-4-8-15(16(18)17-12-13(2)3)11-14-9-6-5-7-10-14/h5-7,9-11,13H,4,8,12H2,1-3H3,(H,17,18)/b15-11+
InChIKey OEBBXKATHWKZCE-RVDMUPIBSA-N
Mol Weight 245.37 g/mol
Molecular Formula C16H23NO
Exact Mass 245.177964 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A74At3Xelb4
Name (E)-2-Benzylidene-N-isobutylpentanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.177964364 u
Formula C16H23NO
InChI InChI=1S/C16H23NO/c1-4-8-15(16(18)17-12-13(2)3)11-14-9-6-5-7-10-14/h5-7,9-11,13H,4,8,12H2,1-3H3,(H,17,18)/b15-11+
InChIKey OEBBXKATHWKZCE-RVDMUPIBSA-N
Molecular Weight 245.366 g/mol
SMILES C(\C(CCC)=C\C1=CC=CC=C1)(=O)NCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973174