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MS-IW-3618 (3-thienyl)malonic acid C7H6O4S (Mass of molecular ion: 186)
Source Temperature: 140 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 2.0 27.0 1.1 28.0 1.5 39.0 2.7 44.0 23.3 45.0 15.1 47.0 1.1 48.5 1.1 50.0 1.4 51.0 2.1 53.0 6.8 58.0 1.3 69.0 3.7 70.0 1.8 71.0 1.5 85.0 1.4 95.0 1.0 96.0 2.3 97.0 100.0 98.0 7.5 99.0 4.9 124.0 1.9 142.0 43.1 143.0 3.3 144.0 2.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H6 O4 S 0.039 g : 0.5 ml DMSO-d6 (3-thienyl)malonic acid Assign. Shift(ppm)
A 13. B 7.473 C 7.452 D 7.126 E 4.773 J(B,C)=3.0HZ J(B,D)=4.9HZ J(C,D)=1.5HZ J(C,E)=0.5HZ
Hz ppm Int.
2991.15 7.485 250 2988.16 7.477 428 2986.23 7.473 252 2983.24 7.465 504 2979.82 7.457 417 2978.97 7.454 481 2978.54 7.453 511 2977.47 7.451 288 2976.83 7.449 292 2975.98 7.447 237 2975.55 7.446 245 2851.19 7.135 359 2849.69 7.131 387 2846.27 7.122 341 2844.78 7.119 367 1908.63 4.776 1000
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