5-Fluoro-2-nitrophenol(446-36-6) Raman
Product Name5-Fluoro-2-nitrophenol
CAS446-36-6
Molecular FormulaC6H4FNO3
Molecular Weight157.1
InChIInChI=1S/C6H4FNO3/c7-4-1-2-5(8(10)11)6(9)3-4/h1-3,9H
InChIKey QQURWFRNETXFTN-UHFFFAOYSA-N
SmilesC1(O)=CC(F)=CC=C1[N+]([O-])=O
-
MassMS-IW-1343 5-fluoro-2-nitrophenol C6H4FNO3 (Mass of molecular ion: 157)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 2.8 28.0 3.8 30.0 3.0 31.0 2.9 33.0 1.1 37.0 1.5 38.0 2.2 39.0 2.5 44.0 2.7 45.0 1.0 50.0 2.2 51.0 7.2 53.0 2.2 56.0 2.6 57.0 25.0 61.0 2.3 62.0 2.8 63.0 9.9 64.0 1.4 69.0 1.9 70.0 3.0 71.0 2.2 76.0 5.1 81.0 10.1 82.0 17.2 83.0 25.8 84.0 2.6 95.0 1.4 96.0 4.5 97.0 1.8 99.0 13.2 110.0 3.4 111.0 4.2 112.0 2.1 124.0 5.3 127.0 19.3 128.0 1.3 140.0 3.1 141.0 2.2 157.0 100.0 158.0 7.2
400 MHz in CDCl3
-
1H NMR 399.65 MHz C6 H4 F N O3 0.040 g : 0.5 ml CDCl3 5-fluoro-2-nitrophenol 
Assign. Shift(ppm)
A 10.81 B 8.170 C 6.849 D 6.738
Hz ppm Int.4321.08 10.813 983 4319.61 10.809 1000 3272.82 8.190 455 3267.14 8.176 457 3263.48 8.166 480 3257.62 8.152 478 2743.65 6.866 465 2741.09 6.859 545 2734.13 6.842 467 2731.56 6.835 549 2702.62 6.763 385 2699.87 6.756 322 2695.29 6.745 381 2693.28 6.740 393 2692.55 6.738 401 2690.53 6.733 337 2685.77 6.721 376 2683.02 6.714 304
in CDCl3
KBr disc
nujol mull
