Ethyl 4-nitrocinnamate(953-26-4) Raman
Product NameEthyl 4-nitrocinnamate
CAS953-26-4
Molecular FormulaC11H11NO4
Molecular Weight221.21
InChIInChI=1S/C11H11NO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-8H,2H2,1H3
InChIKey PFBQVGXIMLXCQB-UHFFFAOYSA-N
SmilesC(OCC)(=O)C=CC1=CC=C([N+]([O-])=O)C=C1
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MassMS-IW-7211 ethyl 4-nitrocinnamate C11H11NO4 (Mass of molecular ion: 221)
Source Temperature: 150 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 1.7 27.0 3.1 28.0 1.4 29.0 6.8 30.0 2.3 39.0 1.9 45.0 4.7 50.0 5.3 51.0 6.9 52.0 2.3 62.0 1.0 63.0 3.7 64.0 1.0 65.0 2.3 69.0 1.6 74.0 3.0 75.0 5.1 76.0 10.0 77.0 3.4 89.0 3.9 90.0 7.6 91.0 5.9 92.0 2.5 101.0 4.5 102.0 22.8 103.0 4.0 117.0 1.0 118.0 7.6 119.0 2.2 129.0 5.0 130.0 32.8 131.0 5.0 146.0 6.8 147.0 5.0 148.0 2.7 149.0 4.6 158.0 2.4 159.0 2.6 160.0 6.2 163.0 1.1 174.0 3.7 175.0 3.7 176.0 100.0 177.0 11.9 178.0 1.4 192.0 6.1 193.0 43.6 194.0 4.8 204.0 12.2 205.0 2.9 206.0 1.1 207.0 1.4 220.0 1.4 221.0 38.8 222.0 5.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C11 H11 N O4 0.040 g : 0.5 ml DMSO-d6 ethyl 4-nitrocinnamate 
Assign. Shift(ppm)
A 8.233 B 8.001 C 7.740 D 6.832 E 4.230 F 1.289
Hz ppm Int.3297.49 8.251 65 3295.29 8.246 390 3293.33 8.241 134 3288.33 8.229 163 3286.38 8.224 469 3283.94 8.218 64 3203.98 8.017 76 3201.78 8.012 416 3199.83 8.007 137 3194.70 7.994 130 3192.87 7.990 349 3190.43 7.984 52 3101.81 7.762 215 3085.57 7.721 234 2738.16 6.852 360 2722.05 6.812 330 1701.29 4.257 145 1694.21 4.240 450 1687.13 4.222 454 1680.05 4.204 145 522.46 1.308 489 515.38 1.290 1000 508.30 1.272 474
in DMSO-d6
KBr disc
nujol mull
