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1-(4-Butyl-phenyl)-3-(2-hydroxy-1,1-bis-hydroxymethyl-ethyl)-urea

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

1-(4-Butyl-phenyl)-3-(2-hydroxy-1,1-bis-hydroxymethyl-ethyl)-urea
SpectraBase Compound ID AZ3LHSgqyyp
InChI InChI=1S/C15H24N2O4/c1-2-3-4-12-5-7-13(8-6-12)16-14(21)17-15(9-18,10-19)11-20/h5-8,18-20H,2-4,9-11H2,1H3,(H2,16,17,21)
InChIKey FMFCWJJMQUFWTM-UHFFFAOYSA-N
Mol Weight 296.37 g/mol
Molecular Formula C15H24N2O4
Exact Mass 296.173607 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DjpQ9speHEA
Name 1-(4-Butyl-phenyl)-3-(2-hydroxy-1,1-bis-hydroxymethyl-ethyl)-urea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.173607257 u
Formula C15H24N2O4
InChI InChI=1S/C15H24N2O4/c1-2-3-4-12-5-7-13(8-6-12)16-14(21)17-15(9-18,10-19)11-20/h5-8,18-20H,2-4,9-11H2,1H3,(H2,16,17,21)
InChIKey FMFCWJJMQUFWTM-UHFFFAOYSA-N
SMILES C(NC(CO)(CO)CO)(NC=1C=CC(=CC1)CCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940469