4-Amino-2-methylphenol(2835-96-3) MS
Product Name4-Amino-2-methylphenol
CAS2835-96-3
Molecular FormulaC7H9NO
Molecular Weight123.15
InChIInChI=1S/C7H9NO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,8H2,1H3
InChIKey HDGMAACKJSBLMW-UHFFFAOYSA-N
SmilesC1(O)=CC=C(N)C=C1C
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MassMS-NW-7247 4-amino-o-cresol C7H9NO (Mass of molecular ion: 123)
Source Temperature: 230 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.5 26.0 1.4 27.0 3.1 28.0 5.4 29.0 1.0 30.0 1.4 37.0 1.4 38.0 3.0 39.0 8.4 40.0 1.9 41.0 6.7 42.0 3.2 43.0 1.2 46.5 3.9 47.0 2.4 50.0 2.0 51.0 4.9 52.0 6.4 52.5 1.1 53.0 5.2 54.0 4.3 55.0 2.9 61.0 2.0 61.5 6.0 62.0 1.4 63.0 1.5 65.0 4.1 66.0 5.5 67.0 6.4 68.0 1.6 77.0 10.9 78.0 6.2 79.0 3.1 80.0 9.7 81.0 1.7 92.0 1.2 93.0 4.6 94.0 21.9 95.0 4.7 96.0 1.1 104.0 5.9 105.0 3.0 106.0 11.5 107.0 3.1 108.0 1.0 121.0 2.2 122.0 39.7 123.0 100.0 124.0 8.0
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C7 H9 N O 0.038 g : 0.5 ml DMSO-d6 4-amino-o-cresol 
Assign. Shift(ppm)
A 8.13 B 6.47 C 6.33 D 6.25 E 4.25 F 2.006
Hz ppm Int.727.88 8.128 100 584.50 6.527 121 576.31 6.435 247 573.38 6.403 37 573.06 6.399 38 568.50 6.348 193 567.69 6.339 199 566.38 6.325 261 565.81 6.318 272 563.44 6.292 217 560.69 6.261 96 557.88 6.230 36 557.38 6.224 40 555.25 6.200 89 552.56 6.170 55 380.88 4.253 192 179.88 2.009 1000
in DMSO-d6
KBr disc
nujol mull
