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10-acridineacetic acid, 9,10-dihydro-9-oxo-, 2-[(E)-[5-(3-carboxyphenyl)-2-furanyl]methylidene]hydrazide
SpectraBase Compound ID C48WH1CSJtH
InChI InChI=1S/C27H19N3O5/c31-25(16-30-22-10-3-1-8-20(22)26(32)21-9-2-4-11-23(21)30)29-28-15-19-12-13-24(35-19)17-6-5-7-18(14-17)27(33)34/h1-15H,16H2,(H,29,31)(H,33,34)/b28-15+
InChIKey XIQTZZHGQXUWPW-RWPZCVJISA-N
Mol Weight 465.47 g/mol
Molecular Formula C27H19N3O5
Exact Mass 465.132471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4rIpXXMIn78
Name 10-Acridineacetic acid, 9,10-dihydro-9-oxo-, 2-[(E)-[5-(3-carboxyphenyl)-2-furanyl]methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 465.132470719 u
Formula C27H19N3O5
InChI InChI=1S/C27H19N3O5/c31-25(16-30-22-10-3-1-8-20(22)26(32)21-9-2-4-11-23(21)30)29-28-15-19-12-13-24(35-19)17-6-5-7-18(14-17)27(33)34/h1-15H,16H2,(H,29,31)(H,33,34)/b28-15+
InChIKey XIQTZZHGQXUWPW-RWPZCVJISA-N
Molecular Weight 465.465 g/mol
SMILES N(\N=C\C=1OC(C2=CC(C(=O)O)=CC=C2)=CC1)C(CN1C=2C(=CC=CC2)C(C=2C1=CC=CC2)=O)=O