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2'-Methyloxanilic acid N'-(3-iodobenzylidene)hydrazide

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2'-Methyloxanilic acid N'-(3-iodobenzylidene)hydrazide
SpectraBase Compound ID 45XADybYVhP
InChI InChI=1S/C16H14IN3O2/c1-11-5-2-3-8-14(11)19-15(21)16(22)20-18-10-12-6-4-7-13(17)9-12/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+
InChIKey XCUIOVNXQUCHGM-VCHYOVAHSA-N
Mol Weight 407.21 g/mol
Molecular Formula C16H14IN3O2
Exact Mass 407.013072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 66Lqko4RQyl
Name 2'-Methyloxanilic acid N'-(3-iodobenzylidene)hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 407.013071701 u
Formula C16H14IN3O2
InChI InChI=1S/C16H14IN3O2/c1-11-5-2-3-8-14(11)19-15(21)16(22)20-18-10-12-6-4-7-13(17)9-12/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+
InChIKey XCUIOVNXQUCHGM-VCHYOVAHSA-N
Molecular Weight 407.211 g/mol
SMILES C(C(NC=1C(=CC=CC1)C)=O)(N\N=C\C=1C=CC=C(C1)I)=O