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1,6-bis(3-nitro-p-tolyl)biurea

View entire compound with spectra: 3 NMR, and 1 FTIR

1,6-bis(3-nitro-p-tolyl)biurea
SpectraBase Compound ID 5xPcdtkYlhb
InChI InChI=1S/C16H16N6O6/c1-9-3-5-11(7-13(9)21(25)26)17-15(23)19-20-16(24)18-12-6-4-10(2)14(8-12)22(27)28/h3-8H,1-2H3,(H2,17,19,23)(H2,18,20,24)
InChIKey NIGVAYRXCQYWKV-UHFFFAOYSA-N
Mol Weight 388.34 g/mol
Molecular Formula C16H16N6O6
Exact Mass 388.113132 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GSjzX6QQA9q
Name 1,6-BIS(3-NITRO-p-TOLYL)BIUREA
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N6O6
InChI InChI=1S/C16H16N6O6/c1-9-3-5-11(7-13(9)21(25)26)17-15(23)19-20-16(24)18-12-6-4-10(2)14(8-12)22(27)28/h3-8H,1-2H3,(H2,17,19,23)(H2,18,20,24)
InChIKey NIGVAYRXCQYWKV-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 388.34
Solvent DMSO-d6; Reference=TMS; Temperature 297K