HEXYL 4-HYDROXYBENZOATE(1083-27-8) IR1
Product NameHEXYL 4-HYDROXYBENZOATE
CAS1083-27-8
Molecular FormulaC13H18O3
Molecular Weight222.28
InChIInChI=1S/C13H18O3/c1-2-3-4-5-10-16-13(15)11-6-8-12(14)9-7-11/h6-9,14H,2-5,10H2,1H3
InChIKey ULULAZKOCFNOIM-UHFFFAOYSA-N
SmilesC(OCCCCCC)(=O)C1=CC=C(O)C=C1
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MassMS-NW-0288 hexyl p-hydroxybenzoate C13H18O3 (Mass of molecular ion: 222)
Source Temperature: 170 °C Sample Temperature: 0 °C Direct, 75 eV
18.0 1.7 27.0 2.6 28.0 1.3 29.0 3.0 39.0 6.4 41.0 5.6 42.0 2.4 43.0 5.3 55.0 5.1 56.0 5.7 57.0 1.1 63.0 1.7 64.0 1.3 65.0 9.7 69.0 2.6 84.0 1.7 92.0 1.6 93.0 9.7 95.0 1.4 120.0 1.2 121.0 66.7 122.0 6.0 138.0 100.0 139.0 29.7 140.0 2.6 222.0 7.7 223.0 1.2
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C13 H18 O3 0.038 g : 0.5 ml DMSO-d6 hexyl p-hydroxybenzoate 
Assign. Shift(ppm)
A 10. B 7.82 C 6.86 D 4.197 E 1.68 F 1.49 to 1.15 G 0.87
Hz ppm Int.707.98 7.906 77 705.29 7.876 783 703.21 7.852 285 698.44 7.799 267 696.36 7.776 1000 693.74 7.747 145 621.70 6.942 98 619.02 6.912 954 616.87 6.888 457 614.79 6.865 99 612.24 6.837 224 610.09 6.813 796 608.01 6.789 219 382.76 4.274 259 379.60 4.239 75 376.58 4.205 684 370.20 4.134 364 150.12 1.677 193 115.48 1.290 738 83.39 0.932 254 80.23 0.896 237 77.81 0.869 828 71.91 0.803 182 71.44 0.798 177 68.35 0.764 80
DMSO-d6
KBr disc
nujol mull
