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N-Benzyl-N'-isopropyl-N-(pyridin-3-ylmethyl)urea

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

N-Benzyl-N'-isopropyl-N-(pyridin-3-ylmethyl)urea
SpectraBase Compound ID HcJrR24MkQ3
InChI InChI=1S/C17H21N3O/c1-14(2)19-17(21)20(12-15-7-4-3-5-8-15)13-16-9-6-10-18-11-16/h3-11,14H,12-13H2,1-2H3,(H,19,21)
InChIKey LVBCYNMZWYKZCV-UHFFFAOYSA-N
Mol Weight 283.38 g/mol
Molecular Formula C17H21N3O
Exact Mass 283.168462 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4AyB5agULUe
Name N-Benzyl-N'-isopropyl-N-(pyridin-3-ylmethyl)urea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.168462307 u
Formula C17H21N3O
InChI InChI=1S/C17H21N3O/c1-14(2)19-17(21)20(12-15-7-4-3-5-8-15)13-16-9-6-10-18-11-16/h3-11,14H,12-13H2,1-2H3,(H,19,21)
InChIKey LVBCYNMZWYKZCV-UHFFFAOYSA-N
SMILES C(N(CC1=CN=CC=C1)CC1=CC=CC=C1)(NC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868795