PHENYL ACETATE(122-79-2) 1H NMR
Product NamePHENYL ACETATE
CAS122-79-2
Molecular FormulaC8H8O2
Molecular Weight136.15
InChIInChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
InChIKey IPBVNPXQWQGGJP-UHFFFAOYSA-N
SmilesC(OC1=CC=CC=C1)(=O)C
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MassMS-NW-0018 phenyl acetate C8H8O2 (Mass of molecular ion: 136)
Source Temperature: 200 °C Sample Temperature: 65 °C Reservoir, 75 eV
14.0 1.0 15.0 4.6 18.0 4.8 27.0 1.4 28.0 2.2 29.0 1.3 37.0 1.1 38.0 2.7 39.0 11.0 40.0 4.3 42.0 1.8 43.0 24.7 45.0 8.7 47.0 1.4 50.0 2.1 51.0 2.8 55.0 3.2 56.0 1.3 60.0 6.8 62.0 1.2 63.0 2.5 64.0 1.0 65.0 10.0 66.0 14.5 77.0 1.6 84.0 1.0 93.0 1.3 94.0 100.0 95.0 6.9 136.0 9.8
in DMSO_d6
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1HNMR (400 MHz, DMSO) δ 12.35 (s, H), 7.29 (m, 5H), 3.59 (s, 2H);
in DMSO_d6
in CDCl3
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13CNMR (100MHz, DMSO) δ 173.19, 135.50, 129.85, 128.71, 127.05, 41.18.
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liquid film
4880 A,200 M,liquid
