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1-naphthalenecarboxylic acid, 4-[(E)-[2-(3-bromobenzoyl)hydrazono]methyl]phenyl ester
SpectraBase Compound ID FkeNLaFYVDH
InChI InChI=1S/C25H17BrN2O3/c26-20-8-3-7-19(15-20)24(29)28-27-16-17-11-13-21(14-12-17)31-25(30)23-10-4-6-18-5-1-2-9-22(18)23/h1-16H,(H,28,29)/b27-16+
InChIKey OUHLLUXUXDNUCP-JVWAILMASA-N
Mol Weight 473.33 g/mol
Molecular Formula C25H17BrN2O3
Exact Mass 472.042255 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3fIdQwUfApt
Name 1-Naphthalenecarboxylic acid, 4-[(E)-[2-(3-bromobenzoyl)hydrazono]methyl]phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 472.042255412 u
Formula C25H17BrN2O3
InChI InChI=1S/C25H17BrN2O3/c26-20-8-3-7-19(15-20)24(29)28-27-16-17-11-13-21(14-12-17)31-25(30)23-10-4-6-18-5-1-2-9-22(18)23/h1-16H,(H,28,29)/b27-16+
InChIKey OUHLLUXUXDNUCP-JVWAILMASA-N
Molecular Weight 473.326 g/mol
SMILES N(C(C1=CC(Br)=CC=C1)=O)\N=C\C=1C=CC(OC(C2=C3C(C=CC=C3)=CC=C2)=O)=CC1