4-NITROCINNAMALDEHYDE(49678-08-2) 1H NMR
Product Name4-NITROCINNAMALDEHYDE
CAS49678-08-2
Molecular FormulaC9H7NO3
Molecular Weight177.16
InChIInChI=1S/C9H7NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-7H/b2-1+
InChIKey ALGQVMMYDWQDEC-OWOJBTEDSA-N
SmilesC(=O)/C=C/C1=CC=C([N+]([O-])=O)C=C1
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MassMS-IW-2154 trans-4-nitrocinnamaldehyde C9H7NO3 (Mass of molecular ion: 177)
Source Temperature: 120 °C Sample Temperature: 90 °C Direct, 75 eV
27.0 3.1 28.0 3.1 29.0 3.1 30.0 3.9 37.0 1.2 38.0 2.2 39.0 6.1 49.0 1.0 50.0 14.5 51.0 24.3 52.0 5.7 53.0 2.8 54.0 2.2 55.0 2.1 61.0 1.9 62.0 4.2 63.0 11.1 64.0 2.4 65.0 5.6 73.0 1.1 74.0 9.1 75.0 11.2 76.0 15.4 77.0 60.3 78.0 4.4 87.0 1.4 89.0 4.2 90.0 6.8 91.0 9.5 92.0 2.6 98.0 1.8 101.0 4.9 102.0 39.4 103.0 42.9 104.0 4.3 118.0 5.4 119.0 3.5 129.0 2.4 130.0 76.7 131.0 28.3 132.0 2.8 146.0 1.7 147.0 1.8 148.0 1.3 149.0 1.3 160.0 100.0 161.0 11.3 162.0 1.0 176.0 19.1 177.0 74.0 178.0 7.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H7 N O3 0.031 g : 0.5 ml CDCl3 trans-4-nitrocinnamaldehyde 
Assign. Shift(ppm)
A 9.795 B 8.306 C 7.763 D 7.565 E 6.832 J(A,E)=7.5HZ J(D,E)=16.2HZ
Hz ppm Int.3918.61 9.806 936 3911.13 9.787 1000 3325.96 8.323 116 3323.67 8.317 841 3321.84 8.312 286 3319.70 8.307 35 3317.11 8.301 288 3314.97 8.295 950 3312.68 8.289 119 3109.28 7.781 124 3108.83 7.779 125 3106.99 7.775 759 3106.38 7.773 844 3104.86 7.769 279 3104.40 7.768 249 3102.11 7.763 39 3099.52 7.756 270 3097.99 7.752 782 3097.38 7.751 687 3095.55 7.746 97 3095.09 7.745 97 3032.07 7.587 425 3015.90 7.547 470 2741.85 6.861 574 2734.38 6.842 589 2725.83 6.821 489 2718.35 6.802 490
in CDCl3
KBr disc
nujol mull
