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Acetic acid, [4-(4-chloro-3-nitrophenyliminomethyl)-2-methoxy]phenyl ester
SpectraBase Compound ID ACCIHm2hQ6B
InChI InChI=1S/C16H13ClN2O5/c1-10(20)24-15-6-3-11(7-16(15)23-2)9-18-12-4-5-13(17)14(8-12)19(21)22/h3-9H,1-2H3/b18-9+
InChIKey AYFADKYSBGJPNV-GIJQJNRQSA-N
Mol Weight 348.74 g/mol
Molecular Formula C16H13ClN2O5
Exact Mass 348.051299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7gBTt2fTtJ4
Name Acetic acid, [4-(4-chloro-3-nitrophenyliminomethyl)-2-methoxy]phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 348.051299222 u
Formula C16H13ClN2O5
InChI InChI=1S/C16H13ClN2O5/c1-10(20)24-15-6-3-11(7-16(15)23-2)9-18-12-4-5-13(17)14(8-12)19(21)22/h3-9H,1-2H3/b18-9+
InChIKey AYFADKYSBGJPNV-GIJQJNRQSA-N
Molecular Weight 348.742 g/mol
SMILES COC=1C(=CC=C(C1)\C=N\C=1C=C(N(=O)=O)C(=CC1)Cl)OC(C)=O