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6297-42-3More Spectrum > Pentanoic acid, 2-methyl-, 2-methylpropyl ester(6297-42-3)MS
Pentanoic acid, 2-methyl-, 2-methylpropyl ester
Product Name Pentanoic acid, 2-methyl-, 2-methylpropyl ester
CAS6297-42-3
MFC10H20O2
MW172.26
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MassMS-IW-3550 isobutyl 2-methylvalerate C10H20O2 (Mass of molecular ion: 172)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 11.7 28.0 4.7 29.0 24.7 31.0 1.7 39.0 9.5 40.0 1.8 41.0 39.6 42.0 8.4 43.0 68.6 44.0 2.4 45.0 2.5 53.0 1.7 55.0 12.5 56.0 65.7 57.0 72.9 58.0 3.7 59.0 2.0 69.0 3.3 70.0 3.8 71.0 100.0 72.0 6.4 73.0 5.7 74.0 55.2 75.0 4.1 87.0 13.5 88.0 1.1 89.0 1.5 99.0 98.2 100.0 10.0 101.0 3.1 116.0 3.1 117.0 55.2 118.0 3.8 129.0 2.4 130.0 14.0 131.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H20 O2 0.05 ml : 0.5 ml CDCl3 isobutyl 2-methylvalerate 
Assign. Shift(ppm)
A *1 3.86 B *1 3.85 C 2.457 D 1.933 E *2 1.652 F *2 1.39 G 1.33 J 1.149 K 0.938 L 0.91 J(A,B)=-10.6HZ J(A,D)=6.7HZ J(B,D)=6.6HZ
Hz ppm Int.1544.92 3.866 266 1543.58 3.863 263 1538.21 3.849 266 1536.99 3.846 266 992.92 2.485 43 985.72 2.467 73 979.00 2.450 73 972.17 2.433 50 786.38 1.968 45 779.66 1.951 89 772.95 1.935 112 766.36 1.918 93 759.64 1.901 50 673.46 1.686 30 666.99 1.669 35 665.77 1.666 35 664.79 1.664 39 659.30 1.650 90 656.98 1.644 37 651.86 1.632 87 569.46 1.425 47 566.89 1.419 38 563.11 1.410 38 560.42 1.403 81 554.08 1.387 57 552.98 1.384 43 547.49 1.370 61 546.63 1.368 65 545.41 1.365 34 542.36 1.358 40 540.16 1.352 122 536.01 1.342 32 535.40 1.340 34 533.08 1.334 178 530.88 1.329 30 529.79 1.326 30 527.59 1.321 46 526.00 1.317 129 523.80 1.311 51 518.80 1.299 61 516.85 1.294 46 462.89 1.159 614 460.45 1.153 55 455.93 1.141 593 378.42 0.947 1000 371.58 0.930 977 365.23 0.914 72 363.16 0.909 502 355.83 0.891 247
in CDCl3
liquid film
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