4-Ethylresorcinol (2896-60-8) IR1
Product Name4-Ethylresorcinol
CAS2896-60-8
Molecular FormulaC8H10O2
Molecular Weight138.16
InChIInChI=1S/C8H10O2/c1-2-6-3-4-7(9)5-8(6)10/h3-5,9-10H,2H2,1H3
InChIKey VGMJYYDKPUPTID-UHFFFAOYSA-N
SmilesC1(O)=CC=C(CC)C(O)=C1
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MassMS-NW-1275 4-ethylresorcinol C8H10O2 (Mass of molecular ion: 138)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 3.3 28.0 1.2 38.0 1.2 39.0 6.3 40.0 1.2 41.0 4.7 43.0 3.5 50.0 1.5 51.0 3.7 52.0 1.3 53.0 3.0 55.0 4.9 61.5 1.4 63.0 1.9 65.0 4.7 66.0 1.9 67.0 6.1 68.0 1.0 69.0 5.2 77.0 4.1 79.0 1.4 81.0 1.6 91.0 3.3 94.0 1.4 95.0 4.9 110.0 1.1 123.0 100.0 124.0 7.7 137.0 2.9 138.0 40.9 139.0 3.6
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C8 H10 O2 0.058 g : 0.5 ml CDCl3 4-ethylresorcinol 
Assign. Shift(ppm)
A 6.962 B 6.36 C 6.32 D 4.8 E 2.544 F 1.201
Hz ppm Int.628.31 7.016 144 626.81 6.999 92 621.19 6.937 116 619.75 6.920 186 574.63 6.417 165 572.25 6.390 287 568.94 6.353 80 566.69 6.328 293 565.19 6.311 719 562.19 6.278 44 426.06 4.758 90 239.75 2.677 99 232.31 2.594 319 224.81 2.511 358 217.19 2.426 144 114.56 1.280 524 111.19 1.242 46 109.63 1.225 65 107.19 1.197 1000 103.44 1.155 56 102.44 1.144 55 102.06 1.140 56 101.56 1.134 58 99.63 1.113 404
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1H NMR 399.65 MHz C8 H10 O2 saturated in CDCl3 4-ethylresorcinol Assign. Shift(ppm)
A 6.968 B 6.364 C 6.320 D 4.86 E 2.549 F 1.198 J(A,B)=8.2HZ. J(B,C)=2.6HZ.
Hz ppm Int.2789.18 6.980 171 2781.01 6.959 183 2548.95 6.378 129 2546.39 6.372 163 2540.77 6.358 118 2538.21 6.352 162 2527.10 6.324 263 2524.54 6.317 206 1943.97 4.865 61 1030.15 2.578 91 1022.71 2.560 268 1015.14 2.541 274 1007.57 2.522 98 486.33 1.217 487 482.30 1.207 34 478.88 1.199 1000 474.73 1.188 40 474.12 1.187 37 473.63 1.186 39 471.31 1.180 481 469.24 1.175 47
in CDCl3
CCl4 solution
KBr disc
nujol mull
