PROPYL VALERATE(141-06-0) MS
Product NamePROPYL VALERATE
CAS141-06-0
Molecular FormulaC8H16O2
Molecular Weight144.21
InChIInChI=1S/C8H16O2/c1-3-5-6-8(9)10-7-4-2/h3-7H2,1-2H3
InChIKey ROJKPKOYARNFNB-UHFFFAOYSA-N
SmilesC(OCCC)(=O)CCCC
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MassMS-NW-5438 propyl valerate C8H16O2 (Mass of molecular ion: 144)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.8 26.0 1.9 27.0 24.1 28.0 8.0 29.0 29.1 30.0 1.0 31.0 4.1 39.0 10.1 40.0 1.8 41.0 38.4 42.0 19.4 43.0 40.2 44.0 1.5 45.0 2.8 55.0 6.9 56.0 5.2 57.0 56.7 58.0 2.9 59.0 7.3 60.0 34.5 61.0 28.7 73.0 18.6 74.0 1.9 75.0 5.4 83.0 1.5 84.0 1.1 85.0 100.0 86.0 5.7 87.0 3.4 102.0 10.5 103.0 60.5 104.0 3.8 115.0 3.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H16 O2 0.04 ml : 0.5 ml CDCl3 propyl valerate 
Assign. Shift(ppm)
A 4.027 B 2.299 C 1.66 D 1.61 E 1.35 F 0.94 G 0.91
Hz ppm Int.367.50 4.104 390 360.88 4.030 825 354.25 3.956 438 214.50 2.396 121 213.50 2.384 128 206.81 2.310 321 199.50 2.228 249 158.13 1.766 151 152.81 1.707 165 151.69 1.694 241 151.19 1.689 237 150.44 1.680 201 145.13 1.621 254 144.19 1.610 399 139.13 1.554 135 137.31 1.534 320 134.81 1.506 97 132.25 1.477 118 131.06 1.464 198 127.56 1.425 47 126.31 1.411 84 124.88 1.395 118 123.31 1.377 125 121.38 1.356 48 118.94 1.329 95 116.81 1.305 128 115.13 1.286 50 113.13 1.264 46 110.31 1.232 114 109.06 1.218 55 103.75 1.159 61 92.00 1.028 259 91.31 1.020 497 90.69 1.013 331 89.69 1.002 228 88.56 0.989 332 88.00 0.983 299 84.38 0.943 1000 83.69 0.935 568 82.19 0.918 692 76.63 0.856 362 75.63 0.845 237 74.75 0.835 165 72.81 0.813 75
in CDCl3
liquid film
4880 A,200 M,liquid
