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1-{o-[5-(p-Tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-3-(o-fluorobenzoyl)urea
SpectraBase Compound ID Tf8cSyYC9u
InChI InChI=1S/C26H23FN4O3/c1-26(2,3)17-14-12-16(13-15-17)23-30-31-24(34-23)19-9-5-7-11-21(19)28-25(33)29-22(32)18-8-4-6-10-20(18)27/h4-15H,1-3H3,(H2,28,29,32,33)
InChIKey SJTFFSBIRQKQGL-UHFFFAOYSA-N
Mol Weight 458.49 g/mol
Molecular Formula C26H23FN4O3
Exact Mass 458.175419 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Tm1iBLcUK5
Name 1-{o-[5-(p-Tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-3-(o-fluorobenzoyl)urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.175418777 u
Formula C26H23FN4O3
InChI InChI=1S/C26H23FN4O3/c1-26(2,3)17-14-12-16(13-15-17)23-30-31-24(34-23)19-9-5-7-11-21(19)28-25(33)29-22(32)18-8-4-6-10-20(18)27/h4-15H,1-3H3,(H2,28,29,32,33)
InChIKey SJTFFSBIRQKQGL-UHFFFAOYSA-N
Molecular Weight 458.493 g/mol
SMILES N(C1=CC=CC=C1C1=NN=C(O1)C1=CC=C(C=C1)C(C)(C)C)C(NC(C=1C=CC=CC1F)=O)=O