AMYL FORMATE(638-49-3) 13C NMR
Product NameAMYL FORMATE
CAS638-49-3
Molecular FormulaC6H12O2
Molecular Weight116.16
InChIInChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3
InChIKey DIQMPQMYFZXDAX-UHFFFAOYSA-N
SmilesC(OCCCCC)=O
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MassMS-NW-1034 pentyl formate C6H12O2 (Mass of molecular ion: 116)
Source Temperature: 250 °C Sample Temperature: 130 °C Reservoir, 75 eV
15.0 1.4 18.0 2.8 26.0 1.6 27.0 17.7 28.0 6.9 29.0 26.4 31.0 31.9 32.0 1.2 39.0 11.0 40.0 2.2 41.0 39.7 42.0 100.0 43.0 19.3 44.0 2.1 45.0 3.9 47.0 8.2 50.0 1.0 51.0 1.2 53.0 1.7 54.0 1.3 55.0 69.3 56.0 5.6 57.0 6.6 59.0 2.2 69.0 4.2 70.0 70.3 71.0 4.2 73.0 3.3 78.0 4.3 87.0 5.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H12 O2 9.7 mol% in CDCl3 pentyl formate 
Assign. Shift(ppm)
A 0.91 B 1.55 to 1.14 C 1.67 D 4.16 E 8.05
Hz ppm Int.721.19 8.053 747 720.69 8.048 543 379.69 4.240 272 378.94 4.232 309 376.31 4.202 45 373.19 4.167 712 372.44 4.159 678 366.69 4.095 408 365.88 4.086 381 162.81 1.818 33 159.44 1.781 50 158.94 1.775 49 156.31 1.746 138 154.38 1.724 102 154.06 1.721 103 149.50 1.670 239 145.19 1.622 119 143.25 1.600 221 139.19 1.555 109 137.19 1.532 124 135.94 1.518 115 133.88 1.495 108 132.88 1.484 95 129.94 1.451 164 126.19 1.409 554 124.94 1.396 339 124.38 1.389 356 123.25 1.377 544 121.81 1.361 385 120.75 1.349 433 119.19 1.331 509 118.25 1.321 474 115.69 1.292 294 115.00 1.285 298 113.19 1.264 167 112.13 1.253 253 107.06 1.196 53 106.38 1.188 52 105.44 1.178 44 104.63 1.169 49 103.31 1.154 34 102.94 1.150 35 101.69 1.136 39 101.13 1.130 43 100.00 1.117 37 98.81 1.104 32 97.94 1.094 33 97.44 1.088 31 95.94 1.072 31 94.38 1.054 33 93.50 1.044 34 91.44 1.021 61 88.13 0.985 346 87.50 0.977 331 81.81 0.914 1000 78.94 0.882 204 75.81 0.847 242 74.44 0.832 159 72.94 0.815 80 71.88 0.803 76
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
