PHENYL STEARATE(637-55-8) MS
Product NamePHENYL STEARATE
CAS637-55-8
Molecular FormulaC24H40O2
Molecular Weight360.57
InChIInChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)26-23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3
InChIKey NUMNZKICGJJSHN-UHFFFAOYSA-N
SmilesC(OC1=CC=CC=C1)(=O)CCCCCCCCCCCCCCCCC
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MassMS-NW-2308 phenyl stearate C24H40O2 (Mass of molecular ion: 360)
Source Temperature: 230 °C Sample Temperature: 170 °C Direct, 75 eV
18.0 3.3 27.0 4.9 28.0 1.2 29.0 11.5 39.0 7.1 40.0 2.6 41.0 25.4 42.0 5.3 43.0 45.8 44.0 1.6 51.0 1.4 53.0 1.5 54.0 2.8 55.0 29.4 56.0 7.3 57.0 60.8 58.0 2.8 65.0 6.3 66.0 5.8 67.0 7.2 68.0 3.4 69.0 18.1 70.0 5.4 71.0 38.6 72.0 2.2 77.0 2.8 79.0 1.4 80.0 1.1 81.0 8.5 82.0 3.1 83.0 17.8 84.0 9.7 85.0 24.7 86.0 1.7 91.0 1.0 93.0 1.7 94.0 100.0 95.0 21.1 96.0 3.1 97.0 14.4 98.0 43.9 99.0 7.7 109.0 8.4 110.0 1.4 111.0 9.0 112.0 10.6 113.0 3.7 121.0 1.1 123.0 4.9 125.0 2.5 126.0 1.0 127.0 1.8 136.0 2.8 137.0 2.9 141.0 1.0 151.0 1.0 267.0 65.0 268.0 12.8 269.0 1.3 360.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C24 H40 O2 0.051 g : 0.5 ml CDCl3 phenyl stearate 
Assign. Shift(ppm)
A 7.37 B 7.29 C 7.06 D 2.54 E 1.75 F 1.26 G 0.89
Hz ppm Int.660.88 7.380 33 653.44 7.297 59 652.69 7.288 41 650.38 7.262 34 648.44 7.241 39 644.25 7.194 22 638.06 7.125 29 637.25 7.116 46 635.38 7.095 49 628.88 7.022 34 627.38 7.006 25 228.13 2.548 41 220.94 2.467 30 220.38 2.461 30 126.06 1.408 27 125.88 1.406 27 112.88 1.261 1000 78.75 0.880 64
in CDCl3
CCl4 solution
KBr disc
nujol mull
