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3-Benzyl-6-butoxy-1H-benzimidazol-2-one

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

3-Benzyl-6-butoxy-1H-benzimidazol-2-one
SpectraBase Compound ID ACWa8hupRZR
InChI InChI=1S/C18H20N2O2/c1-2-3-11-22-15-9-10-17-16(12-15)19-18(21)20(17)13-14-7-5-4-6-8-14/h4-10,12H,2-3,11,13H2,1H3,(H,19,21)
InChIKey JFBYXHOJWSZDDM-UHFFFAOYSA-N
Mol Weight 296.37 g/mol
Molecular Formula C18H20N2O2
Exact Mass 296.152478 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3H94xfC7UTT
Name 3-Benzyl-6-butoxy-1H-benzimidazol-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.152477890 u
Formula C18H20N2O2
InChI InChI=1S/C18H20N2O2/c1-2-3-11-22-15-9-10-17-16(12-15)19-18(21)20(17)13-14-7-5-4-6-8-14/h4-10,12H,2-3,11,13H2,1H3,(H,19,21)
InChIKey JFBYXHOJWSZDDM-UHFFFAOYSA-N
SMILES C1(N(C=2C(N1)=CC(=CC2)OCCCC)CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.877175