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1,3,5-Trichloro-2,4-dinitrobenzene hemihydrate

View entire compound with spectra: 2 NMR

1,3,5-Trichloro-2,4-dinitrobenzene hemihydrate
SpectraBase Compound ID ADhwDBKk8yn
InChI InChI=1S/2C6HCl3N2O4.O/c2*7-2-1-3(8)6(11(14)15)4(9)5(2)10(12)13;/h2*1H;
InChIKey IVNTXKZVAIADNZ-UHFFFAOYSA-N
Mol Weight 558.89 g/mol
Molecular Formula C12H2Cl6N4O9
Exact Mass 555.795294 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H91xla6NWJY
Name 1,3,5-Trichloro-2,4-dinitrobenzene hemihydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 385425
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H2Cl6N4O9
InChI InChI=1S/2C6HCl3N2O4.O/c2*7-2-1-3(8)6(11(14)15)4(9)5(2)10(12)13;/h2*1H;
InChIKey IVNTXKZVAIADNZ-UHFFFAOYSA-N
Molecular Weight 558.885 g/mol
Observed nucleus 13C
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_014058