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1-(3-Morpholinopropyl)-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea

View entire compound with spectra: 3 NMR, and 1 FTIR

1-(3-Morpholinopropyl)-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea
SpectraBase Compound ID 91oj4Z2jDmK
InChI InChI=1S/C15H20F3N3O2/c16-15(17,18)12-3-1-4-13(11-12)20-14(22)19-5-2-6-21-7-9-23-10-8-21/h1,3-4,11H,2,5-10H2,(H2,19,20,22)
InChIKey NZFZWYWUXYAQDR-UHFFFAOYSA-N
Mol Weight 331.34 g/mol
Molecular Formula C15H20F3N3O2
Exact Mass 331.150761 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4O41j7GwDda
Name 1-(3-Morpholinopropyl)-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.150761383 u
Formula C15H20F3N3O2
InChI InChI=1S/C15H20F3N3O2/c16-15(17,18)12-3-1-4-13(11-12)20-14(22)19-5-2-6-21-7-9-23-10-8-21/h1,3-4,11H,2,5-10H2,(H2,19,20,22)
InChIKey NZFZWYWUXYAQDR-UHFFFAOYSA-N
Molecular Weight 331.339 g/mol
SMILES N(C1=CC=CC(=C1)C(F)(F)F)C(NCCCN1CCOCC1)=O