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1H-Inden-1-one, 3-[(3-nitrobenzoyl)oxy]-2-phenyl-
SpectraBase Compound ID IqEMPrH0pmw
InChI InChI=1S/C22H13NO5/c24-20-17-11-4-5-12-18(17)21(19(20)14-7-2-1-3-8-14)28-22(25)15-9-6-10-16(13-15)23(26)27/h1-13H
InChIKey QHUNSTFNXSLQAH-UHFFFAOYSA-N
Mol Weight 371.35 g/mol
Molecular Formula C22H13NO5
Exact Mass 371.079373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6BHHP387zOj
Name 1H-Inden-1-one, 3-[(3-nitrobenzoyl)oxy]-2-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.079372518 u
Formula C22H13NO5
InChI InChI=1S/C22H13NO5/c24-20-17-11-4-5-12-18(17)21(19(20)14-7-2-1-3-8-14)28-22(25)15-9-6-10-16(13-15)23(26)27/h1-13H
InChIKey QHUNSTFNXSLQAH-UHFFFAOYSA-N
Molecular Weight 371.348 g/mol
SMILES C1(=C(C(=O)C2=C1C=CC=C2)C1=CC=CC=C1)OC(C1=CC(N(=O)=O)=CC=C1)=O