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2-Nitro-1,3-indanedione dihydrate

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

2-Nitro-1,3-indanedione dihydrate
SpectraBase Compound ID Im0hAX9uuL5
InChI InChI=1S/C9H5NO4.2H2O/c11-8-5-3-1-2-4-6(5)9(12)7(8)10(13)14;;/h1-4,7H;2*1H2
InChIKey XRZWGGIKMVZYGU-UHFFFAOYSA-N
Mol Weight 227.172 g/mol
Molecular Formula C9H9NO6
Exact Mass 227.042987 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fn4lY0Wa1z3
Name 2-Nitro-1,3-indanedione dihydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number N17408
CAS Registry Number 64887-75-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO6
InChI InChI=1S/C9H5NO4.2H2O/c11-8-5-3-1-2-4-6(5)9(12)7(8)10(13)14;;/h1-4,7H;2*1H2
InChIKey XRZWGGIKMVZYGU-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_012357