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N-{3-[(1E)-N-(3-bromobenzoyl)ethanehydrazonoyl]phenyl}-3-methylbenzamide

View entire compound with spectra: 2 NMR

N-{3-[(1E)-N-(3-bromobenzoyl)ethanehydrazonoyl]phenyl}-3-methylbenzamide
SpectraBase Compound ID DoMDuLEw5oo
InChI InChI=1S/C23H20BrN3O2/c1-15-6-3-8-18(12-15)22(28)25-21-11-5-7-17(14-21)16(2)26-27-23(29)19-9-4-10-20(24)13-19/h3-14H,1-2H3,(H,25,28)(H,27,29)/b26-16+
InChIKey ZCQAENVTHHZHMS-WGOQTCKBSA-N
Mol Weight 450.34 g/mol
Molecular Formula C23H20BrN3O2
Exact Mass 449.07389 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4DnNYm53KEf
Name N-{3-[(1E)-N-(3-Bromobenzoyl)ethanehydrazonoyl]phenyl}-3-methylbenzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.073889894 u
Formula C23H20BrN3O2
InChI InChI=1S/C23H20BrN3O2/c1-15-6-3-8-18(12-15)22(28)25-21-11-5-7-17(14-21)16(2)26-27-23(29)19-9-4-10-20(24)13-19/h3-14H,1-2H3,(H,25,28)(H,27,29)/b26-16+
InChIKey ZCQAENVTHHZHMS-WGOQTCKBSA-N
Molecular Weight 450.336 g/mol
SMILES N(\N=C\(C=1C=C(NC(C=2C=C(C)C=CC2)=O)C=CC1)C)C(C=1C=C(Br)C=CC1)=O