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4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-(phenylcarbonyl)-1-benzofuran-3-yl]butanamide
SpectraBase Compound ID 3MkTsY0r14A
InChI InChI=1S/C27H20N2O5/c30-22(15-8-16-29-26(32)18-11-4-5-12-19(18)27(29)33)28-23-20-13-6-7-14-21(20)34-25(23)24(31)17-9-2-1-3-10-17/h1-7,9-14H,8,15-16H2,(H,28,30)
InChIKey GBPLMZCZGXWFLF-UHFFFAOYSA-N
Mol Weight 452.47 g/mol
Molecular Formula C27H20N2O5
Exact Mass 452.137222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ViJ3MPJht6
Name 4-[1,3-bis(Oxidanylidene)isoindol-2-yl]-N-[2-(phenylcarbonyl)-1-benzofuran-3-yl]butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.137221747 u
Formula C27H20N2O5
InChI InChI=1S/C27H20N2O5/c30-22(15-8-16-29-26(32)18-11-4-5-12-19(18)27(29)33)28-23-20-13-6-7-14-21(20)34-25(23)24(31)17-9-2-1-3-10-17/h1-7,9-14H,8,15-16H2,(H,28,30)
InChIKey GBPLMZCZGXWFLF-UHFFFAOYSA-N
Molecular Weight 452.466 g/mol
SMILES C1(=C(C=2C=CC=CC2O1)NC(=O)CCCN1C(C=2C=CC=CC2C1=O)=O)C(=O)C1=CC=CC=C1