4-DIMETHYLAMINO-1-NEOPENTYLPYRIDINIUM CHLORIDE(109911-77-5) 13C NMR
Product Name4-DIMETHYLAMINO-1-NEOPENTYLPYRIDINIUM CHLORIDE
CAS109911-77-5
Molecular FormulaC12H21ClN2
Molecular Weight228.76
InChIInChI=1S/C12H21N2.ClH/c1-12(2,3)10-14-8-6-11(7-9-14)13(4)5;/h6-9H,10H2,1-5H3;1H/q+1;/p-1
InChIKey OTCQGJASYOVVCB-UHFFFAOYSA-M
SmilesC(C)(C)(C)C[N+]1C=CC(N(C)C)=CC=1.[Cl-]
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C12 H21 Cl N2 0.040 g : 0.5 ml DMSO-d6 4-dimethylamino-1-neopentylpyridinium chloride 
Assign. Shift(ppm)
A 8.260 B 7.061 C 4.065 D 3.207 E 0.910
Hz ppm Int.3305.42 8.271 85 3297.61 8.252 89 2825.81 7.071 94 2819.70 7.056 38 2817.99 7.052 91 1624.88 4.066 202 1281.86 3.208 1000 363.65 0.910 945
in DMSO-d6
KBr disc
nujol mull
