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Benzo[d,E]isoquinoline-1,3(2H)-dione, 2-[2-(1-benzotriazolyl)-2-oxoethyl]-
SpectraBase Compound ID 6hbcEjipDAn
InChI InChI=1S/C20H12N4O3/c25-17(24-16-10-2-1-9-15(16)21-22-24)11-23-19(26)13-7-3-5-12-6-4-8-14(18(12)13)20(23)27/h1-10H,11H2
InChIKey PYMAAOANBINUDS-UHFFFAOYSA-N
Mol Weight 356.34 g/mol
Molecular Formula C20H12N4O3
Exact Mass 356.09094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3qbvEOhfy9X
Name Benzo[D,E]isoquinoline-1,3(2H)-dione, 2-[2-(1-benzotriazolyl)-2-oxoethyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.090940259 u
Formula C20H12N4O3
InChI InChI=1S/C20H12N4O3/c25-17(24-16-10-2-1-9-15(16)21-22-24)11-23-19(26)13-7-3-5-12-6-4-8-14(18(12)13)20(23)27/h1-10H,11H2
InChIKey PYMAAOANBINUDS-UHFFFAOYSA-N
Molecular Weight 356.341 g/mol
SMILES C(CN1C(C2=C3C(=CC=C2)C=CC=C3C1=O)=O)(=O)N1C=2C=CC=CC2N=N1