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N-[2-(1H-indol-3-yl)ethyl]-N'-phenylurea
SpectraBase Compound ID DTvgFr6OvaT
InChI InChI=1S/C17H17N3O/c21-17(20-14-6-2-1-3-7-14)18-11-10-13-12-19-16-9-5-4-8-15(13)16/h1-9,12,19H,10-11H2,(H2,18,20,21)
InChIKey ZGQABPLJNQKODP-UHFFFAOYSA-N
Mol Weight 279.34 g/mol
Molecular Formula C17H17N3O
Exact Mass 279.137162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I4d4df3C764
Name N-[2-(1H-Indol-3-yl)ethyl]-N'-phenylurea
Comments Computed using HOSE algorithm
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Exact Mass 279.137162178 u
Formula C17H17N3O
InChI InChI=1S/C17H17N3O/c21-17(20-14-6-2-1-3-7-14)18-11-10-13-12-19-16-9-5-4-8-15(13)16/h1-9,12,19H,10-11H2,(H2,18,20,21)
InChIKey ZGQABPLJNQKODP-UHFFFAOYSA-N
Molecular Weight 279.343 g/mol
SMILES N(C(NCCC1=CNC2=C1C=CC=C2)=O)C=1C=CC=CC1