Product NameAcetaminophen
CAS103-90-2
Molecular FormulaC8H9NO2
Molecular Weight151.16
InChIInChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
InChIKey RZVAJINKPMORJF-UHFFFAOYSA-N
SmilesC(NC1=CC=C(O)C=C1)(=O)C
Mass
MS-IW-3901 4'-hydroxyacetanilide C8H9NO2 (Mass of molecular ion: 151)
Source Temperature: 130 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 1.0 17.0 1.0 18.0 4.7 27.0 2.2 28.0 1.8 39.0 2.1 42.0 1.1 43.0 15.4 51.0 1.7 52.0 4.7 53.0 6.3 54.0 1.8 55.0 1.5 63.0 1.3 65.0 1.5 79.0 1.0 80.0 12.7 81.0 9.1 82.0 1.7 107.0 1.0 108.0 11.6 109.0 100.0 110.0 8.0 151.0 44.1 152.0 4.1
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C8 H9 N O2 | 0.034 g : 0.5 ml DMSO-d6 |
4'-hydroxyacetanilide |
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Assign. Shift(ppm) |
Hz ppm Int.
3859.41 9.657 101 3654.63 9.145 458 2945.56 7.371 24 2942.20 7.362 262 2940.06 7.357 85 2935.49 7.346 90 2933.35 7.340 275 2929.99 7.332 34 2680.82 6.708 28 2677.46 6.700 290 2675.32 6.695 91 2670.75 6.683 86 2668.61 6.678 271 2665.25 6.669 32 794.37 1.988 1000
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
Acetaminophen(103-90-2) 13C NMR Atlas of Related Products
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