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Urea, N-cyclohexyl-N'-[2-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)ethyl]-
SpectraBase Compound ID A7uY4DebOIP
InChI InChI=1S/C17H23N3O2/c21-16-15-9-5-4-6-13(15)12-20(16)11-10-18-17(22)19-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-12H2,(H2,18,19,22)
InChIKey XPMYWHPYXFWDJP-UHFFFAOYSA-N
Mol Weight 301.39 g/mol
Molecular Formula C17H23N3O2
Exact Mass 301.179027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JxcxMjvyAYD
Name Urea, N-cyclohexyl-N'-[2-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)ethyl]-
Comments Computed using HOSE algorithm
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Exact Mass 301.179026991 u
Formula C17H23N3O2
InChI InChI=1S/C17H23N3O2/c21-16-15-9-5-4-6-13(15)12-20(16)11-10-18-17(22)19-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-12H2,(H2,18,19,22)
InChIKey XPMYWHPYXFWDJP-UHFFFAOYSA-N
Molecular Weight 301.390 g/mol
SMILES C1(N(CC2=C1C=CC=C2)CCNC(NC1CCCCC1)=O)=O