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MassMS-IW-8133 7-oxo-1,3,5-cycloheptatrienyl p-toluenesulfonate C14H12O4S (Mass of molecular ion: 276)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
38.0 1.4 39.0 18.5 41.0 1.3 50.0 1.2 51.0 3.1 62.0 1.0 63.0 4.9 64.0 2.1 65.0 29.3 66.0 2.1 77.0 4.2 89.0 2.9 90.0 1.4 91.0 100.0 92.0 9.2 93.0 3.4 122.0 1.2 139.0 1.9 155.0 50.4 156.0 4.7 157.0 2.6 184.0 1.0 195.0 4.3 197.0 2.9 211.0 3.9 212.0 34.7 213.0 5.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C14 H12 O4 S 0.040 g : 0.5 ml DMSO-d6 7-oxo-1,3,5-cycloheptatrienyl p-toluenesulfonate 
Assign. Shift(ppm)
A 7.842 B 7.490 C 7.434 D 7.404 E 7.271 F 7.147 G 7.128 J 2.436 ASSIGNED BY H-H COSY
Hz ppm Int.3140.50 7.859 60 3138.43 7.853 339 3136.84 7.849 132 3131.96 7.837 124 3130.13 7.833 393 2997.80 7.502 248 2997.19 7.500 297 2989.14 7.480 263 2988.53 7.478 249 2976.56 7.448 79 2975.46 7.446 85 2968.26 7.428 112 2967.04 7.425 112 2963.87 7.417 247 2956.05 7.397 163 2954.59 7.393 310 2916.87 7.299 51 2916.14 7.297 96 2915.16 7.295 69 2908.69 7.279 44 2907.84 7.276 78 2906.98 7.274 62 2906.01 7.272 90 2905.27 7.270 142 2904.42 7.268 89 2897.83 7.251 68 2896.85 7.249 104 2896.12 7.247 75 2863.04 7.164 69 2862.30 7.163 103 2861.94 7.162 107 2861.21 7.160 92 2855.22 7.145 221 2854.49 7.143 178 2853.64 7.141 124 2852.05 7.137 134 2850.34 7.133 73 2842.90 7.114 200 973.63 2.437 1000
in DMSO-d6
KBr disc
nujol mull
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