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3,6-DIMETHYL-2-NITROBENZONITRILE

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3,6-DIMETHYL-2-NITROBENZONITRILE
SpectraBase Compound ID 9ZUUiUWb9mJ
InChI InChI=1S/C9H8N2O2/c1-6-3-4-7(2)9(11(12)13)8(6)5-10/h3-4H,1-2H3
InChIKey ZGTIJEWGDSEUMW-UHFFFAOYSA-N
Mol Weight 176.17 g/mol
Molecular Formula C9H8N2O2
Exact Mass 176.058578 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4CSb4b8JR8K
Name 3,6-DIMETHYL-2-NITROBENZONITRILE
Source of Sample R. Rupprecht, W. Bremser BASF Ludwigshafen (1985)
CAS Registry Number 90417-23-5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2O2
InChI InChI=1S/C9H8N2O2/c1-6-3-4-7(2)9(11(12)13)8(6)5-10/h3-4H,1-2H3
InChIKey ZGTIJEWGDSEUMW-UHFFFAOYSA-N
Molecular Weight 176.18
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker AM-270
Synonyms BENZONITRILE, 3,6-DIMETHYL- 2-NITRO-,