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4-chloro-2,6-dinitro-3,5-xylenol, compound with piperidine (1:1)
SpectraBase Compound ID Hunwon9OQeW
InChI InChI=1S/C8H7ClN2O5.C5H11N/c1-3-5(9)4(2)7(11(15)16)8(12)6(3)10(13)14;1-2-4-6-5-3-1/h12H,1-2H3;6H,1-5H2
InChIKey FNDLIRGBAQXBDE-UHFFFAOYSA-N
Mol Weight 331.76 g/mol
Molecular Formula C13H18ClN3O5
Exact Mass 331.093498 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DG5tSxDJ2GL
Name 4-chloro-2,6-dinitro-3,5-xylenol, compound with piperidine (1:1)
Source of Sample A. H. M. Kirby, East Malling Research Station, Kent, England
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Formula C13H18ClN3O5
InChI InChI=1S/C8H7ClN2O5.C5H11N/c1-3-5(9)4(2)7(11(15)16)8(12)6(3)10(13)14;1-2-4-6-5-3-1/h12H,1-2H3;6H,1-5H2
InChIKey FNDLIRGBAQXBDE-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 4832M
Solvent CDCl3
Synonyms PIPERIDINE, CMPD WITH 4-CHLORO- 2,6-DINITRO-3,5-XYLENOL /1.1/ 3,5-XYLENOL, 4-CHLORO-2,6-DINITRO-, CMPD WITH PIPERIDINE /1.1/