T-PENTYL ACETATE(625-16-1) 13C NMR
Product NameT-PENTYL ACETATE
CAS625-16-1
Molecular FormulaC7H14O2
Molecular Weight130.18
InChIInChI=1S/C7H14O2/c1-5-7(3,4)9-6(2)8/h5H2,1-4H3
InChIKey JCCIFDCPHCKATH-UHFFFAOYSA-N
SmilesCC(OC(=O)C)(C)CC
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MassMS-NW-5871 tert-pentyl acetate C7H14O2 (Mass of molecular ion: 130)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 5.6 27.0 7.3 28.0 1.1 29.0 8.1 31.0 2.9 39.0 5.8 41.0 8.6 42.0 6.4 43.0 100.0 44.0 2.3 45.0 1.6 53.0 1.4 55.0 24.6 56.0 1.4 59.0 26.5 60.0 1.4 70.0 29.2 71.0 22.8 72.0 1.5 73.0 31.0 74.0 1.5 101.0 15.0 115.0 5.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H14 O2 0.04 ml : 0.5 ml CDCl3 tert-pentyl acetate 
Assign. Shift(ppm)
A 1.967 B 1.77 C 1.412 D 0.88
Hz ppm Int.176.19 1.968 831 162.44 1.814 60 155.00 1.731 73 148.19 1.655 24 147.56 1.648 24 128.38 1.434 22 126.50 1.413 1000 85.94 0.960 96 78.88 0.881 207 78.19 0.874 122 71.06 0.794 63 70.31 0.786 34
in CDCl3
liquid film
4880 A,200 M,liquid
