METHYL 2-METHYLPENTANOATE(2177-77-7) 1H NMR
Product NameMETHYL 2-METHYLPENTANOATE
CAS2177-77-7
Molecular FormulaC7H14O2
Molecular Weight130.18
InChIInChI=1S/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3
InChIKey ZTULNMNIVVMLIU-UHFFFAOYSA-N
SmilesC(OC)(=O)C(C)CCC
-
MassMS-IW-3567 methyl 2-methylvalerate C7H14O2 (Mass of molecular ion: 130)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 4.8 27.0 9.7 28.0 3.6 29.0 10.6 31.0 1.0 39.0 7.5 40.0 1.3 41.0 16.5 42.0 6.6 43.0 55.8 44.0 2.0 45.0 2.0 53.0 1.4 55.0 12.8 56.0 7.7 57.0 20.4 58.0 1.2 59.0 13.7 69.0 5.3 70.0 4.9 71.0 32.0 72.0 1.8 73.0 2.1 74.0 1.0 83.0 1.6 87.0 10.9 88.0 100.0 89.0 5.3 99.0 16.6 100.0 1.1 101.0 18.9 102.0 2.1 115.0 3.5
400 MHz in CDCl3
-
1H NMR 399.65 MHz C7 H14 O2 0.05 ml : 0.5 ml CDCl3 methyl 2-methylvalerate 
Assign. Shift(ppm)
A 3.667 B 2.456 C *1 1.642 D *1 1.39 E 1.31 F 1.142 G 0.905
Hz ppm Int.1465.70 3.668 1000 992.55 2.484 55 985.47 2.466 89 978.52 2.449 90 971.68 2.432 60 669.31 1.675 34 666.50 1.668 30 662.60 1.658 46 661.74 1.656 42 660.28 1.653 44 655.52 1.641 62 654.91 1.639 60 654.30 1.638 61 652.59 1.633 45 647.46 1.621 74 646.85 1.619 54 640.14 1.602 38 573.97 1.437 32 567.63 1.421 66 564.58 1.413 47 561.40 1.405 44 558.23 1.397 95 552.00 1.382 72 550.78 1.379 46 545.53 1.366 61 544.31 1.362 53 541.38 1.355 42 539.67 1.351 54 536.74 1.344 79 534.91 1.339 84 532.23 1.332 37 531.62 1.331 36 529.54 1.326 96 528.44 1.323 146 525.88 1.316 30 524.41 1.313 61 522.22 1.307 80 521.24 1.305 133 518.80 1.299 51 517.94 1.296 49 516.60 1.293 30 515.01 1.289 51 514.65 1.288 51 514.04 1.287 53 511.84 1.281 49 460.08 1.152 677 457.64 1.146 55 453.13 1.134 654 368.77 0.923 334 365.72 0.916 31 361.57 0.905 554 354.25 0.887 279
in CDCl3
liquid film
