产品名称:2-甲基戊酸戊酯
CAS:6297-48-9
分子式:C11H22O2
分子量: 186.29
InChI:InChI=1S/C11H22O2/c1-4-6-7-9-13-11(12)10(3)8-5-2/h10H,4-9H2,1-3H3
InChIKey: SDCYWLNURCILGU-UHFFFAOYSA-N
Smiles:C(OCCCCC)(=O)C(C)CCC
MS
1HNMR
13CNMR
IR1
Mass
MS-IW-3577 pentyl 2-methylvalerate C11H22O2 (Mass of molecular ion: 186)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 15.8 28.0 5.9 29.0 24.0 31.0 2.3 39.0 9.4 40.0 2.0 41.0 34.8 42.0 28.1 43.0 90.1 44.0 4.5 45.0 3.7 53.0 2.1 55.0 28.7 56.0 7.3 57.0 4.7 59.0 1.8 67.0 1.0 69.0 9.6 70.0 63.5 71.0 86.7 72.0 5.3 73.0 4.7 74.0 71.0 75.0 9.6 85.0 1.1 87.0 16.9 88.0 1.3 89.0 1.9 99.0 55.5 100.0 4.1 101.0 3.0 115.0 7.0 116.0 3.3 117.0 100.0 118.0 7.1 144.0 11.9 145.0 1.0 157.0 1.3
400 MHz in CDCl3
Assign. Shift(ppm) A *1 4.07 B *1 4.06 C 2.439 D 1.67 to 1.60 E 1.40 F 1.38 to 1.30 G 1.139 J 0.91
Hz ppm Int.
1631.47 4.083 204 1630.49 4.080 199 1624.76 4.066 402 1623.90 4.064 377 1617.92 4.049 207 1617.19 4.047 203 985.47 2.466 66 978.27 2.448 107 971.56 2.432 109 964.72 2.414 75 675.90 1.692 34 669.43 1.676 57 668.21 1.672 45 666.26 1.668 61 662.96 1.659 85 661.74 1.656 92 660.64 1.654 103 658.81 1.649 140 655.27 1.640 186 652.83 1.634 152 651.86 1.632 185 649.29 1.625 125 647.83 1.621 193 644.65 1.614 130 642.58 1.608 73 641.24 1.605 67 640.50 1.603 71 637.82 1.596 55 572.51 1.433 41 566.16 1.417 82 563.35 1.410 64 559.81 1.401 66 557.01 1.394 151 553.96 1.387 58 550.66 1.378 128 549.44 1.375 124 544.31 1.362 225 542.24 1.357 405 538.09 1.347 432 534.91 1.339 492 533.20 1.335 210 530.76 1.329 385 527.71 1.321 198 526.25 1.317 120 523.68 1.311 203 521.36 1.305 97 520.51 1.303 86 517.94 1.296 53 516.48 1.293 95 514.40 1.288 75 509.28 1.275 30 507.57 1.271 33 458.86 1.149 1000 456.42 1.143 75 451.90 1.131 952 374.63 0.938 66 370.97 0.929 315 369.63 0.925 564 367.55 0.920 214 366.21 0.917 239 364.01 0.911 695 362.43 0.907 890 356.81 0.893 262 355.10 0.889 391 349.61 0.875 45
in CDCl3
liquid film
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2-甲基戊酸戊酯(6297-48-9)质谱(MS)相关产品图谱