Benzylparaben(94-18-8) 13C NMR
Product NameBenzylparaben
CAS94-18-8
Molecular FormulaC14H12O3
Molecular Weight228.24
InChIInChI=1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKey MOZDKDIOPSPTBH-UHFFFAOYSA-N
SmilesC(OCC1=CC=CC=C1)(=O)C1=CC=C(O)C=C1
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MassMS-NW-0215 benzyl p-hydroxybenzoate C14H12O3 (Mass of molecular ion: 228)
Source Temperature: 170 °C Sample Temperature: 0 °C Direct, 75 eV
38.0 1.1 39.0 8.5 50.0 1.2 51.0 2.9 63.0 3.4 64.0 1.8 65.0 15.8 77.0 2.7 79.0 2.3 89.0 3.0 90.0 3.9 91.0 49.7 92.0 4.2 93.0 6.5 94.0 1.2 107.0 3.9 120.0 1.1 121.0 100.0 122.0 9.3 183.0 4.5 228.0 31.6 229.0 5.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C14 H12 O3 0.043 g : 0.5 ml CDCl3 benzyl p-hydroxybenzoate 
Assign. Shift(ppm)
A 7.960 B 7.42 to 7.32 C 6.96 D 6.87 E 5.337
Hz ppm Int.718.00 8.017 420 715.94 7.994 143 711.25 7.942 129 709.13 7.918 502 661.31 7.384 731 660.06 7.371 842 657.13 7.338 292 655.25 7.317 174 652.38 7.285 115 623.06 6.957 248 620.81 6.932 89 619.19 6.914 535 617.06 6.890 163 612.31 6.837 124 610.25 6.814 418 478.00 5.338 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
