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3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-{(E)-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}propanohydrazide

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3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-{(E)-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}propanohydrazide
SpectraBase Compound ID 3tkkMRGjrjK
InChI InChI=1S/C30H38FN3O2/c1-19-15-22(20(2)34(19)24-12-10-23(31)11-13-24)18-32-33-27(35)14-9-21-16-25(29(3,4)5)28(36)26(17-21)30(6,7)8/h10-13,15-18,36H,9,14H2,1-8H3,(H,33,35)/b32-18+
InChIKey UETWLEQCBZIQRW-KCSSXMTESA-N
Mol Weight 491.7 g/mol
Molecular Formula C30H38FN3O2
Exact Mass 491.294806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B5aBj1KmANV
Name 3-(3,5-Ditert-butyl-4-hydroxyphenyl)-N'-{(E)-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}propanohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 491.294805637 u
Formula C30H38FN3O2
InChI InChI=1S/C30H38FN3O2/c1-19-15-22(20(2)34(19)24-12-10-23(31)11-13-24)18-32-33-27(35)14-9-21-16-25(29(3,4)5)28(36)26(17-21)30(6,7)8/h10-13,15-18,36H,9,14H2,1-8H3,(H,33,35)/b32-18+
InChIKey UETWLEQCBZIQRW-KCSSXMTESA-N
Molecular Weight 491.651 g/mol
SMILES OC1=C(C=C(CCC(N\N=C\C2=C(N(C(=C2)C)C2=CC=C(C=C2)F)C)=O)C=C1C(C)(C)C)C(C)(C)C