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1-(3-Chloro-4-fluorobenzoyl)-3-cyclopropylurea
SpectraBase Compound ID Lm5XBsMeh4Y
InChI InChI=1S/C11H10ClFN2O2/c12-8-5-6(1-4-9(8)13)10(16)15-11(17)14-7-2-3-7/h1,4-5,7H,2-3H2,(H2,14,15,16,17)
InChIKey RIOSSGAYFGEANR-UHFFFAOYSA-N
Mol Weight 256.66 g/mol
Molecular Formula C11H10ClFN2O2
Exact Mass 256.041483 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ItGQMLgHEDz
Name 1-(3-Chloro-4-fluorobenzoyl)-3-cyclopropylurea
Comments Computed using HOSE algorithm
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Exact Mass 256.041483431 u
Formula C11H10ClFN2O2
InChI InChI=1S/C11H10ClFN2O2/c12-8-5-6(1-4-9(8)13)10(16)15-11(17)14-7-2-3-7/h1,4-5,7H,2-3H2,(H2,14,15,16,17)
InChIKey RIOSSGAYFGEANR-UHFFFAOYSA-N
Molecular Weight 256.664 g/mol
SMILES N(C(C1=CC=C(C(=C1)Cl)F)=O)C(NC1CC1)=O