3-CARBAMYL-1-METHYLPYRIDINIUM CHLORIDE(1005-24-9) IR1
Product Name3-CARBAMYL-1-METHYLPYRIDINIUM CHLORIDE
CAS1005-24-9
Molecular FormulaC7H9ClN2O
Molecular Weight172.61
InChIInChI=1S/C7H8N2O.ClH/c1-9-4-2-3-6(5-9)7(8)10;/h2-5H,1H3,(H-,8,10);1H
InChIKey BWVDQVQUNNBTLK-UHFFFAOYSA-N
SmilesC1(C(=O)N)=CC=C[N+](C)=C1.[Cl-]
400 MHz in D2O
-
1H NMR 399.65 MHz C7 H9 Cl N2 O 0.040 g : 0.5 ml D2O 3-carbamoyl-1-methylpyridinium chloride 
Assign. Shift(ppm)
A 9.328 B 9.024 C 8.936 D 8.231 E 4.528
Hz ppm Int.3728.18 9.329 198 3609.77 9.033 115 3603.67 9.018 120 3575.44 8.947 112 3567.35 8.927 120 3296.66 8.249 70 3290.41 8.234 82 3288.88 8.230 81 3282.32 8.213 64 1809.84 4.529 1000
KBr disc
nujol mull
