2,2-DIMETHYLVALERIC ACID(1185-39-3) 1H NMR
Product Name2,2-DIMETHYLVALERIC ACID
CAS1185-39-3
Molecular FormulaC7H14O2
Molecular Weight130.18
InChIInChI=1S/C7H14O2/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKey ZRYCZAWRXHAAPZ-UHFFFAOYSA-N
SmilesC(O)(=O)C(C)(C)CCC
-
MassMS-IW-6963 2,2-dimethylvaleric acid C7H14O2 (Mass of molecular ion: 130)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 2.9 27.0 12.7 28.0 7.2 29.0 10.5 31.0 1.2 39.0 12.3 40.0 2.3 41.0 41.0 42.0 6.3 43.0 93.3 44.0 4.2 45.0 7.7 51.0 1.0 53.0 2.9 55.0 10.7 56.0 8.1 57.0 21.9 58.0 1.0 59.0 5.0 60.0 1.5 67.0 1.6 69.0 20.4 70.0 5.0 71.0 1.9 73.0 23.6 74.0 1.3 83.0 1.7 84.0 8.2 85.0 100.0 86.0 7.1 87.0 4.6 88.0 55.8 89.0 2.6 101.0 5.9 115.0 1.0
400 MHz in CDCl3
-
1H NMR 399.65 MHz C7 H14 O2 0.05 ml : 0.5 ml CDCl3 2,2-dimethylvaleric acid 
Assign. Shift(ppm)
A 11.7 B 1.521 C 1.306 D 1.400 E 0.908
Hz ppm Int.617.45 1.545 105 612.33 1.533 86 609.94 1.527 95 608.48 1.523 93 604.27 1.512 94 600.42 1.503 165 533.56 1.336 76 529.35 1.325 48 526.05 1.317 86 524.04 1.312 52 521.84 1.306 65 518.18 1.297 65 517.08 1.294 73 514.51 1.288 46 509.57 1.276 57 475.50 1.190 1000 370.18 0.927 247 363.04 0.909 434 355.71 0.891 213
in CDCl3
liquid film
