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2-[(2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]propionic acid, (2-chloro-6-fluorobenzylidene)hydrazide
SpectraBase Compound ID LfsQNM9cjHn
InChI InChI=1S/C22H20ClFN2O4/c1-3-5-14-10-21(27)30-20-11-15(8-9-16(14)20)29-13(2)22(28)26-25-12-17-18(23)6-4-7-19(17)24/h4,6-13H,3,5H2,1-2H3,(H,26,28)/b25-12+
InChIKey BYCQTEJJLMHEJG-BRJLIKDPSA-N
Mol Weight 430.86 g/mol
Molecular Formula C22H20ClFN2O4
Exact Mass 430.109563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cmfuax5Bnty
Name 2-[(2-oxo-4-Propyl-2H-1-benzopyran-7-yl)oxy]propionic acid, (2-chloro-6-fluorobenzylidene)hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.109562991 u
Formula C22H20ClFN2O4
InChI InChI=1S/C22H20ClFN2O4/c1-3-5-14-10-21(27)30-20-11-15(8-9-16(14)20)29-13(2)22(28)26-25-12-17-18(23)6-4-7-19(17)24/h4,6-13H,3,5H2,1-2H3,(H,26,28)/b25-12+
InChIKey BYCQTEJJLMHEJG-BRJLIKDPSA-N
Molecular Weight 430.863 g/mol
SMILES N(C(C(OC=1C=CC=2C(=CC(OC2C1)=O)CCC)C)=O)\N=C\C=1C(=CC=CC1F)Cl