3-Nitrobenzaldehyde(99-61-6) IR3
Product Name3-Nitrobenzaldehyde
CAS99-61-6
Molecular FormulaC7H5NO3
Molecular Weight151.12
InChIInChI=1S/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H
InChIKey ZETIVVHRRQLWFW-UHFFFAOYSA-N
SmilesC(=O)C1=CC=CC([N+]([O-])=O)=C1
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MassMS-IW-3685 m-nitrobenzaldehyde C7H5NO3 (Mass of molecular ion: 151)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 2.5 28.0 2.3 29.0 3.0 30.0 3.6 37.0 2.4 38.0 3.1 39.0 4.5 49.0 1.6 50.0 22.6 51.0 52.8 52.0 2.6 61.0 1.5 62.0 2.1 63.0 3.5 64.0 2.3 65.0 7.4 73.0 2.0 74.0 10.9 75.0 11.4 76.0 20.5 77.0 68.6 78.0 4.7 92.0 3.3 93.0 1.0 104.0 16.1 105.0 51.8 106.0 4.1 121.0 2.0 122.0 1.3 135.0 1.1 150.0 80.6 151.0 100.0 152.0 8.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H5 N O3 0.051 g : 0.5 ml CDCl3 m-nitrobenzaldehyde 
Assign. Shift(ppm)
A 10.152 B 8.727 C 8.509 D 8.269 E 7.811
Hz ppm Int.4057.62 10.153 993 4057.16 10.152 1000 3489.84 8.733 283 3488.01 8.728 394 3486.33 8.724 289 3406.68 8.525 197 3405.46 8.522 206 3404.39 8.519 198 3403.17 8.516 196 3398.44 8.504 207 3397.37 8.501 225 3396.15 8.498 216 3395.08 8.496 200 3310.09 8.283 200 3308.72 8.280 287 3307.50 8.276 203 3302.46 8.264 220 3301.09 8.260 313 3299.87 8.257 218 3129.58 7.831 268 3121.49 7.811 399 3113.71 7.792 235
in CDCl3
CCl4 solution
KBr disc
nujol mull
