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N,N'-Bis(2,2-benzoylacetic)isophthalamide

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N,N'-Bis(2,2-benzoylacetic)isophthalamide
SpectraBase Compound ID JsuXHRMDu4P
InChI InChI=1S/C26H20N2O8/c29-21(13-23(31)32)17-8-1-3-10-19(17)27-25(35)15-6-5-7-16(12-15)26(36)28-20-11-4-2-9-18(20)22(30)14-24(33)34/h1-12H,13-14H2,(H,27,35)(H,28,36)(H,31,32)(H,33,34)
InChIKey ITXVXYDOWABREC-UHFFFAOYSA-N
Mol Weight 488.45 g/mol
Molecular Formula C26H20N2O8
Exact Mass 488.121966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EA7liRnxENf
Name N,N'-bis(2,2-Benzoylacetic)isophthalamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.121965604 u
Formula C26H20N2O8
InChI InChI=1S/C26H20N2O8/c29-21(13-23(31)32)17-8-1-3-10-19(17)27-25(35)15-6-5-7-16(12-15)26(36)28-20-11-4-2-9-18(20)22(30)14-24(33)34/h1-12H,13-14H2,(H,27,35)(H,28,36)(H,31,32)(H,33,34)
InChIKey ITXVXYDOWABREC-UHFFFAOYSA-N
Molecular Weight 488.452 g/mol
SMILES C(NC=1C(C(CC(=O)O)=O)=CC=CC1)(C=1C=C(C(NC2=C(C(CC(=O)O)=O)C=CC=C2)=O)C=CC1)=O