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2-(N-Phenylamino)-3-butylimidazolin-4-one

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

2-(N-Phenylamino)-3-butylimidazolin-4-one
SpectraBase Compound ID F0FXkMZObUW
InChI InChI=1S/C13H17N3O/c1-2-3-9-16-12(17)10-14-13(16)15-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,14,15)
InChIKey ZKKDWHOXDCRVEV-UHFFFAOYSA-N
Mol Weight 231.3 g/mol
Molecular Formula C13H17N3O
Exact Mass 231.137162 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cgf5sVsupIX
Name 2-(N-Phenylamino)-3-butylimidazolin-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.137162178 u
Formula C13H17N3O
InChI InChI=1S/C13H17N3O/c1-2-3-9-16-12(17)10-14-13(16)15-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,14,15)
InChIKey ZKKDWHOXDCRVEV-UHFFFAOYSA-N
Molecular Weight 231.299 g/mol
SMILES C=1(N(C(=O)CN1)CCCC)NC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968327