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3-Nitro-N-(4-methylphenyl)-N-(phthalimidomethyl)phthalic acid-1-amide

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3-Nitro-N-(4-methylphenyl)-N-(phthalimidomethyl)phthalic acid-1-amide
SpectraBase Compound ID Kg5kNQ6cyZ
InChI InChI=1S/C24H17N3O7/c1-14-9-11-15(12-10-14)25(13-26-21(28)16-5-2-3-6-17(16)22(26)29)23(30)18-7-4-8-19(27(33)34)20(18)24(31)32/h2-12H,13H2,1H3,(H,31,32)
InChIKey VWASIIOGGORSBG-UHFFFAOYSA-N
Mol Weight 459.41 g/mol
Molecular Formula C24H17N3O7
Exact Mass 459.10665 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9k16wLdOt9s
Name 3-Nitro-N-(4-methylphenyl)-N-(phthalimidomethyl)phthalic acid-1-amide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.106649892 u
Formula C24H17N3O7
InChI InChI=1S/C24H17N3O7/c1-14-9-11-15(12-10-14)25(13-26-21(28)16-5-2-3-6-17(16)22(26)29)23(30)18-7-4-8-19(27(33)34)20(18)24(31)32/h2-12H,13H2,1H3,(H,31,32)
InChIKey VWASIIOGGORSBG-UHFFFAOYSA-N
Molecular Weight 459.414 g/mol
SMILES OC(c1c(cccc1N(=O)=O)C(N(c1ccc(cc1)C)CN1C(c2ccccc2C1=O)=O)=O)=O