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Ethyl (2-{4-[(2-fluorobenzoyl)amino]-1,2,5-oxadiazol-3-yl}-1H-benzimidazol-1-yl)acetate
SpectraBase Compound ID BfOLsPi8N4z
InChI InChI=1S/C20H16FN5O4/c1-2-29-16(27)11-26-15-10-6-5-9-14(15)22-19(26)17-18(25-30-24-17)23-20(28)12-7-3-4-8-13(12)21/h3-10H,2,11H2,1H3,(H,23,25,28)
InChIKey IEPWZZCIRVBASB-UHFFFAOYSA-N
Mol Weight 409.38 g/mol
Molecular Formula C20H16FN5O4
Exact Mass 409.118632 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9vlbL8Pxz9G
Name Ethyl (2-{4-[(2-fluorobenzoyl)amino]-1,2,5-oxadiazol-3-yl}-1H-benzimidazol-1-yl)acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.118632174 u
Formula C20H16FN5O4
InChI InChI=1S/C20H16FN5O4/c1-2-29-16(27)11-26-15-10-6-5-9-14(15)22-19(26)17-18(25-30-24-17)23-20(28)12-7-3-4-8-13(12)21/h3-10H,2,11H2,1H3,(H,23,25,28)
InChIKey IEPWZZCIRVBASB-UHFFFAOYSA-N
Molecular Weight 409.377 g/mol
SMILES C=1(N(C=2C=CC=CC2N1)CC(=O)OCC)C=1C(NC(C2=C(F)C=CC=C2)=O)=NON1