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Benzo[b]benzofuran-4-carboxamide, N-[2-[[(2-phenoxyethyl)amino]carbonyl]phenyl]-
SpectraBase Compound ID EWAgTZsx2wL
InChI InChI=1S/C28H22N2O4/c31-27(29-17-18-33-19-9-2-1-3-10-19)22-12-4-6-15-24(22)30-28(32)23-14-8-13-21-20-11-5-7-16-25(20)34-26(21)23/h1-16H,17-18H2,(H,29,31)(H,30,32)
InChIKey QPDADXWBCNRGLZ-UHFFFAOYSA-N
Mol Weight 450.49 g/mol
Molecular Formula C28H22N2O4
Exact Mass 450.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KtfzuHJsAQ
Name Benzo[B]benzofuran-4-carboxamide, N-[2-[[(2-phenoxyethyl)amino]carbonyl]phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.157957192 u
Formula C28H22N2O4
InChI InChI=1S/C28H22N2O4/c31-27(29-17-18-33-19-9-2-1-3-10-19)22-12-4-6-15-24(22)30-28(32)23-14-8-13-21-20-11-5-7-16-25(20)34-26(21)23/h1-16H,17-18H2,(H,29,31)(H,30,32)
InChIKey QPDADXWBCNRGLZ-UHFFFAOYSA-N
Molecular Weight 450.494 g/mol
SMILES C1=CC=C2C(OC3=C2C=CC=C3C(NC2=C(C=CC=C2)C(=O)NCCOC2=CC=CC=C2)=O)=C1