4-NITROSORESORCINOL 1-MONOMETHYL ETHER(13895-38-0) MS
Product Name4-NITROSORESORCINOL 1-MONOMETHYL ETHER
CAS13895-38-0
Molecular FormulaC7H7NO3
Molecular Weight153.14
InChIInChI=1S/C7H7NO3/c1-11-5-2-3-6(8-10)7(9)4-5/h2-4,9H,1H3
InChIKey RNBFLAJNUZQUIK-UHFFFAOYSA-N
SmilesC1(O)=CC(OC)=CC=C1N=O
-
MassMS-NW-2605 5-methoxy-2-nitrosophenol C7H7NO3 (Mass of molecular ion: 153)
Source Temperature: 300 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 5.1 18.0 2.6 26.0 3.0 27.0 2.7 28.0 3.1 29.0 3.9 30.0 3.9 31.0 2.3 37.0 3.5 38.0 8.0 39.0 17.8 40.0 1.8 41.0 7.5 42.0 1.8 43.0 1.1 44.0 1.8 49.0 2.0 50.0 9.3 51.0 18.3 52.0 26.8 53.0 13.4 54.0 3.1 55.0 5.5 59.0 11.6 61.0 2.6 62.0 5.1 63.0 8.9 64.0 4.5 65.0 15.2 66.0 4.6 67.0 2.5 68.0 3.1 69.0 19.8 75.0 1.7 76.0 2.5 77.0 5.3 78.0 4.7 79.0 12.8 80.0 19.9 81.0 1.6 82.0 1.5 92.0 4.3 93.0 10.2 94.0 3.4 95.0 14.6 96.0 2.2 107.0 1.8 108.0 30.3 109.0 7.9 122.0 1.5 123.0 2.8 124.0 2.6 136.0 89.4 137.0 8.6 139.0 1.6 153.0 100.0 154.0 8.2
90 MHz in CDCl3
-
1H NMR 89.56 MHz C7 H7 N O3 0.044 g : 0.5 ml CDCl3 5-methoxy-2-nitrosophenol 
Assign. Shift(ppm)
A 17.0 B 7.636 C 6.570 D 6.077 E 3.919
Hz ppm Int.688.96 7.693 52 679.57 7.588 61 593.87 6.631 80 591.43 6.604 86 584.35 6.525 61 581.79 6.497 71 545.29 6.089 138 542.85 6.062 125 350.95 3.919 1000
KBr disc
nujol mull
