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benzoic acid, 4-(decyloxy)-, 2-[(E)-(4-bromophenyl)methylidene]hydrazide
SpectraBase Compound ID J97nAcw8qrx
InChI InChI=1S/C24H31BrN2O2/c1-2-3-4-5-6-7-8-9-18-29-23-16-12-21(13-17-23)24(28)27-26-19-20-10-14-22(25)15-11-20/h10-17,19H,2-9,18H2,1H3,(H,27,28)/b26-19+
InChIKey RLNBLERBCHUQKP-LGUFXXKBSA-N
Mol Weight 459.43 g/mol
Molecular Formula C24H31BrN2O2
Exact Mass 458.156891 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EvZ8qSwSYac
Name Benzoic acid, 4-(decyloxy)-, 2-[(E)-(4-bromophenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 458.156891244 u
Formula C24H31BrN2O2
InChI InChI=1S/C24H31BrN2O2/c1-2-3-4-5-6-7-8-9-18-29-23-16-12-21(13-17-23)24(28)27-26-19-20-10-14-22(25)15-11-20/h10-17,19H,2-9,18H2,1H3,(H,27,28)/b26-19+
InChIKey RLNBLERBCHUQKP-LGUFXXKBSA-N
Molecular Weight 459.428 g/mol
SMILES N(\N=C\C1=CC=C(C=C1)Br)C(C=1C=CC(=CC1)OCCCCCCCCCC)=O