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2-nitro-1,3-indandione

View entire compound with spectra: 2 NMR, and 1 UV-Vis

2-nitro-1,3-indandione
SpectraBase Compound ID 4ppqpmttQeT
InChI InChI=1S/2C9H5NO4/c2*11-8-5-3-1-2-4-6(5)9(12)7(8)10(13)14/h1-4,11H;1-4,7H
InChIKey PCUSRAVKFGBFEF-UHFFFAOYSA-N
Mol Weight 191.14 g/mol
Molecular Formula C9H5NO4
Exact Mass 191.021858 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4tPuXWO5U8B
Name 2-NITRO-1,3-INDANDIONE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5NO4
InChI InChI=1S/2C9H5NO4/c2*11-8-5-3-1-2-4-6(5)9(12)7(8)10(13)14/h1-4,11H;1-4,7H
InChIKey PCUSRAVKFGBFEF-UHFFFAOYSA-N
Melting Point 124C (dec.)
Molecular Weight 191.14
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 1,3-INDANDIONE, 2-NITRO-,