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N'-[(E)-(6-chloro-7-methyl-4-oxo-4H-chromen-3-yl)methylidene]-2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetohydrazide

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N'-[(E)-(6-chloro-7-methyl-4-oxo-4H-chromen-3-yl)methylidene]-2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetohydrazide
SpectraBase Compound ID 1yfm43wME90
InChI InChI=1S/C21H15Cl2N3O5/c1-11-4-18-14(6-15(11)23)21(29)12(9-30-18)7-24-25-19(27)8-26-16-5-13(22)2-3-17(16)31-10-20(26)28/h2-7,9H,8,10H2,1H3,(H,25,27)/b24-7+
InChIKey TXONJTZEAKBBGF-HCBMXOAHSA-N
Mol Weight 460.27 g/mol
Molecular Formula C21H15Cl2N3O5
Exact Mass 459.038876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ae6rLqKHkII
Name N'-[(E)-(6-chloro-7-methyl-4-oxo-4H-chromen-3-yl)methylidene]-2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.038875990 u
Formula C21H15Cl2N3O5
InChI InChI=1S/C21H15Cl2N3O5/c1-11-4-18-14(6-15(11)23)21(29)12(9-30-18)7-24-25-19(27)8-26-16-5-13(22)2-3-17(16)31-10-20(26)28/h2-7,9H,8,10H2,1H3,(H,25,27)/b24-7+
InChIKey TXONJTZEAKBBGF-HCBMXOAHSA-N
Molecular Weight 460.273 g/mol
SMILES N(\N=C\C=1C(C2=C(C=C(C(=C2)Cl)C)OC1)=O)C(CN1C2=C(C=CC(=C2)Cl)OCC1=O)=O