Product NameIsoamyl acetate
CAS123-92-2
Molecular FormulaC7H14O2
Molecular Weight130.18
InChIInChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
InChIKey MLFHJEHSLIIPHL-UHFFFAOYSA-N
SmilesC(OC(=O)C)CC(C)C
Mass
MS-NW-0039 isopentyl acetate C7H14O2 (Mass of molecular ion: 130)
Source Temperature: 220 °C Sample Temperature: 25 °C Reservoir, 75 eV
15.0 3.8 27.0 6.6 28.0 2.1 29.0 6.8 31.0 1.3 39.0 5.9 41.0 13.8 42.0 13.4 43.0 100.0 44.0 2.6 45.0 2.2 53.0 1.2 54.0 1.1 55.0 43.5 56.0 4.2 57.0 4.6 58.0 2.2 61.0 12.8 69.0 6.1 70.0 63.4 71.0 4.2 72.0 1.9 73.0 13.9 74.0 2.5 85.0 1.5 87.0 10.1 88.0 1.8
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C7 H14 O2 | 0.05 ml : 0.5 ml CDCl3 |
isopentyl acetate |
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Assign. Shift(ppm) |
Hz ppm Int.
1643.68 4.113 243 1636.72 4.096 429 1629.76 4.078 243 819.34 2.051 47 814.21 2.038 990 690.92 1.729 39 684.08 1.712 75 677.37 1.695 96 670.53 1.678 83 663.94 1.662 49 618.29 1.548 153 611.45 1.530 379 604.49 1.513 334 597.66 1.496 120 373.66 0.935 1000 366.82 0.918 964
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
Isoamyl acetate(123-92-2) 1H NMR Atlas of Related Products
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