4-ETHYLCATECHOL(1124-39-6) 1H NMR
Product Name4-ETHYLCATECHOL
CAS1124-39-6
Molecular FormulaC8H10O2
Molecular Weight138.16
InChIInChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3
InChIKey HFLGBNBLMBSXEM-UHFFFAOYSA-N
SmilesC1(O)=CC=C(CC)C=C1O
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MassMS-IW-9531 4-ethylpyrocatechol C8H10O2 (Mass of molecular ion: 138)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 3.0 28.0 1.3 38.0 1.1 39.0 4.9 41.0 1.9 43.0 1.3 50.0 1.8 51.0 7.5 52.0 1.5 53.0 3.2 55.0 2.6 61.5 1.0 62.0 1.0 63.0 2.4 64.0 1.1 65.0 4.1 66.0 1.5 67.0 1.6 69.0 1.1 77.0 12.0 78.0 1.2 79.0 1.7 81.0 1.2 89.0 1.6 91.0 6.4 92.0 2.0 94.0 1.8 105.0 3.8 107.0 1.9 110.0 1.4 119.0 1.5 120.0 1.9 121.0 1.3 122.0 1.1 123.0 100.0 124.0 7.7 136.0 1.3 137.0 4.2 138.0 31.1 139.0 2.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H10 O2 0.040 g : 0.5 ml CDCl3 4-ethylpyrocatechol 
Assign. Shift(ppm)
A 6.764 B 6.699 C 6.610 D 5.8 E 2.498 F 1.145
Hz ppm Int.2707.76 6.776 267 2699.58 6.755 335 2678.59 6.703 233 2676.51 6.698 254 2646.36 6.622 152 2644.29 6.617 137 2638.31 6.602 117 2636.23 6.597 107 2320.68 5.807 41 1008.30 2.523 105 1000.61 2.504 297 993.04 2.485 301 985.47 2.466 107 465.45 1.165 541 457.76 1.146 1000 450.20 1.127 509
in CDCl3
KBr disc
nujol mull
