MPMC(2425-10-7) MS
Molecular FormulaC10H13NO2
Molecular Weight179.22
InChIInChI=1S/C10H13NO2/c1-7-4-5-9(6-8(7)2)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)
InChIKey WCJYTPVNMWIZCG-UHFFFAOYSA-N
SmilesC1(OC(=O)NC)=CC=C(C)C(C)=C1
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MassMS2001-00713WA MPMC C10H13NO2 (Mass of molecular ion: 179)
Source Temperature: 185 °C Sample Temperature: 20 °C Direct, 70 eV
15.0 4.7 27.0 4.9 28.0 6.1 29.0 1.3 38.0 1.5 39.0 12.9 40.0 2.2 41.0 5.6 43.0 1.2 50.0 4.0 51.0 11.7 52.0 6.4 53.0 8.5 55.0 2.1 56.0 2.1 57.0 3.6 58.0 17.5 62.0 1.3 63.0 4.2 64.0 1.0 65.0 5.7 66.0 1.1 77.0 18.1 78.0 5.0 79.0 5.2 91.0 13.7 92.0 2.2 93.0 2.7 94.0 1.2 103.0 2.0 104.0 1.3 105.0 2.6 107.0 62.9 108.0 6.8 120.0 1.2 121.0 23.5 122.0 100.0 123.0 8.8 179.0 5.3
in CDCl3
in CDCl3
KBr disk
Nujol
