Product NameEthylparaben
CAS120-47-8
Molecular FormulaC9H10O3
Molecular Weight166.17
InChIInChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
InChIKey NUVBSKCKDOMJSU-UHFFFAOYSA-N
SmilesC(OCC)(=O)C1=CC=C(O)C=C1
Mass
MS-NW-3811 ethyl p-hydroxybenzoate C9H10O3 (Mass of molecular ion: 166)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 4.4 29.0 4.0 38.0 2.1 39.0 11.5 50.0 1.0 53.0 1.7 62.0 1.2 63.0 3.5 64.0 2.5 65.0 16.9 66.0 1.5 92.0 2.3 93.0 15.0 94.0 2.0 109.0 1.0 121.0 100.0 122.0 11.5 123.0 1.1 138.0 21.2 139.0 1.8 151.0 1.5 166.0 23.2 167.0 2.5
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C9 H10 O3 | 0.057 g : 0.5 ml CDCl3 |
ethyl p-hydroxybenzoate |
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Assign. Shift(ppm) |
Hz ppm Int.
719.75 8.037 65 717.13 8.008 441 715.00 7.984 135 710.38 7.932 168 708.19 7.908 503 705.63 7.879 68 690.00 7.705 390 627.13 7.003 74 624.44 6.973 525 622.31 6.949 148 617.63 6.897 147 615.50 6.873 427 612.75 6.842 59 402.06 4.490 121 401.94 4.488 121 394.81 4.409 424 387.69 4.329 446 380.63 4.251 145 131.13 1.465 463 128.06 1.430 50 127.75 1.427 50 127.25 1.421 53 124.06 1.386 1000 121.69 1.359 63 119.38 1.333 51 116.88 1.306 418
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,150M,powder
Ethylparaben(120-47-8) MS Atlas of Related Products
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