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Acetamide, N-(3-ethynylphenyl)-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-
SpectraBase Compound ID KVbtCamEzZA
InChI InChI=1S/C18H12N2O3/c1-2-12-6-5-7-13(10-12)19-16(21)11-20-17(22)14-8-3-4-9-15(14)18(20)23/h1,3-10H,11H2,(H,19,21)
InChIKey QHVHTEPXJDDHKL-UHFFFAOYSA-N
Mol Weight 304.31 g/mol
Molecular Formula C18H12N2O3
Exact Mass 304.084792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7wMHjtAjVHF
Name Acetamide, N-(3-ethynylphenyl)-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.084792251 u
Formula C18H12N2O3
InChI InChI=1S/C18H12N2O3/c1-2-12-6-5-7-13(10-12)19-16(21)11-20-17(22)14-8-3-4-9-15(14)18(20)23/h1,3-10H,11H2,(H,19,21)
InChIKey QHVHTEPXJDDHKL-UHFFFAOYSA-N
Molecular Weight 304.305 g/mol
SMILES C1=CC=2C(N(C(=O)C2C=C1)CC(NC=1C=CC=C(C#C)C1)=O)=O