10-METHYLANTHRACENE-9-CARBOXALDEHYDE(7072-00-6) MS
Product Name10-METHYLANTHRACENE-9-CARBOXALDEHYDE
CAS7072-00-6
Molecular FormulaC16H12O
Molecular Weight220.27
InChIInChI=1S/C16H12O/c1-11-12-6-2-4-8-14(12)16(10-17)15-9-5-3-7-13(11)15/h2-10H,1H3
InChIKey KVWSVUPNZVIFBN-UHFFFAOYSA-N
SmilesC1=C2C(C(C)=C3C(=C2C=O)C=CC=C3)=CC=C1
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MassMS-NW-6710 10-methyl-9-anthracenecarbaldehyde C16H12O (Mass of molecular ion: 220)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
39.0 2.1 50.0 1.4 51.0 2.1 62.0 1.6 63.0 3.7 69.5 2.1 74.0 2.2 75.0 2.4 76.0 1.1 81.0 1.3 81.5 4.0 82.0 3.2 82.5 9.0 83.0 2.3 86.0 1.5 87.0 2.4 88.0 2.9 88.5 1.1 89.0 1.4 93.5 3.2 94.0 3.9 94.5 11.6 95.0 6.2 95.5 3.9 96.0 4.6 98.0 1.3 102.5 1.6 109.0 2.2 109.5 1.2 110.0 4.4 115.0 1.5 139.0 2.3 150.0 1.7 151.0 1.6 152.0 2.6 163.0 4.7 164.0 2.4 165.0 13.4 166.0 1.9 176.0 5.5 177.0 4.0 187.0 4.8 188.0 4.0 189.0 32.0 190.0 13.7 191.0 47.4 192.0 28.4 193.0 4.4 205.0 28.4 206.0 5.0 219.0 43.6 220.0 100.0 221.0 17.1 222.0 1.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C16 H12 O 0.039 g : 0.5 ml CDCl3 10-methyl-9-anthracenecarbaldehyde 
Assign. Shift(ppm)
A 11.322 B 8.845 C 8.207 D 7.56 E 7.46 F 2.983
Hz ppm Int.1014.11 11.324 314 798.05 8.911 83 797.39 8.904 91 795.56 8.883 97 795.12 8.879 92 790.94 8.832 57 788.75 8.807 94 787.79 8.797 112 787.13 8.789 107 741.06 8.275 97 740.33 8.267 97 739.31 8.255 98 737.11 8.231 70 733.23 8.188 97 732.71 8.182 120 730.81 8.161 136 730.08 8.152 126 686.79 7.669 39 684.96 7.649 65 680.27 7.596 168 678.44 7.576 126 676.17 7.550 181 673.02 7.515 471 669.87 7.480 159 667.68 7.456 105 665.99 7.437 126 661.16 7.383 44 659.47 7.364 32 267.26 2.985 1000
in CDCl3
KBr disc
nujol mull
