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MassMS-NW-7970 1-phenalenone C13H8O (Mass of molecular ion: 180)
Source Temperature: 160 °C Sample Temperature: 100 °C Direct, 75 eV
39.0 1.2 50.0 3.0 51.0 2.8 61.0 1.3 62.0 3.0 63.0 12.6 63.5 1.1 74.0 5.0 75.0 9.7 75.5 4.3 76.0 31.4 76.5 4.0 77.0 1.6 86.0 1.5 87.0 2.1 90.0 2.1 98.0 2.5 99.0 2.3 100.0 1.2 101.0 1.0 102.0 1.1 125.0 1.9 126.0 4.9 149.0 1.0 150.0 12.7 151.0 18.4 152.0 73.6 153.0 10.2 180.0 100.0 181.0 14.6 182.0 2.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H8 O 0.035 g : 0.5 ml CDCl3 1-phenalenone 
Assign. Shift(ppm)
A 8.586 B 8.147 C 7.972 D 7.729 E 7.70 F 7.69 G 7.547 J 6.699 ASSIGNED BY C-H COSY. J(A,B)=1.2HZ J(A,D)=7.4HZ J(B,D)=8.2HZ J(C,F)=1.0HZ J(C,G)=8.3HZ J(E,J)=9.8HZ J(F,G)=7.0HZ
Hz ppm Int.3436.04 8.598 371 3434.81 8.595 377 3428.59 8.579 386 3427.37 8.576 386 3260.99 8.160 303 3259.89 8.157 302 3252.81 8.140 332 3251.83 8.137 321 3190.92 7.985 298 3189.94 7.982 303 3182.62 7.964 321 3181.88 7.962 337 3097.17 7.750 402 3089.84 7.732 464 3089.23 7.730 459 3081.67 7.711 828 3079.83 7.707 327 3079.22 7.705 325 3071.66 7.686 1000 3023.44 7.566 399 3016.48 7.548 351 3015.26 7.545 388 3008.18 7.528 287 2682.25 6.712 592 2672.49 6.688 549
in CDCl3
KBr disc
nujol mull
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