Cyclopropyl 2-thienyl ketone(6193-47-1) IR1
Product NameCyclopropyl 2-thienyl ketone
CAS6193-47-1
Molecular FormulaC8H8OS
Molecular Weight152.21
InChIInChI=1S/C8H8OS/c9-8(6-3-4-6)7-2-1-5-10-7/h1-2,5-6H,3-4H2
InChIKey PJDFNFSTSCAKPC-UHFFFAOYSA-N
SmilesC(C1CC1)(C1SC=CC=1)=O
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MassMS-NW-8583 cyclopropyl 2-thienyl ketone C8H8OS (Mass of molecular ion: 152)
Source Temperature: 250 °C Sample Temperature: 130 °C Reservoir, 75 eV
27.0 1.0 38.0 1.8 39.0 23.1 40.0 1.7 41.0 6.2 45.0 4.0 53.0 1.2 57.0 2.2 58.0 1.3 69.0 5.1 81.0 1.0 82.0 1.4 83.0 7.9 84.0 1.3 91.0 3.2 97.0 1.8 111.0 100.0 112.0 6.4 113.0 4.8 119.0 1.4 121.0 1.2 122.0 1.3 123.0 2.8 133.0 1.1 151.0 9.9 152.0 26.5 153.0 3.2 154.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H8 O S 0.05 ml : 0.5 ml CDCl3 cyclopropyl 2-thienyl ketone 
Assign. Shift(ppm)
A 7.821 B 7.618 C 7.136 D 2.544 E 1.225 F 1.014
Hz ppm Int.3128.42 7.828 693 3127.20 7.825 806 3124.63 7.819 751 3123.41 7.816 856 3051.15 7.635 35 3050.42 7.633 41 3047.85 7.627 841 3046.75 7.624 887 3042.85 7.614 908 3041.75 7.612 1000 3038.21 7.603 36 2859.62 7.156 32 2859.01 7.154 34 2856.45 7.148 878 2852.66 7.138 881 2851.56 7.136 943 2847.78 7.126 824 1029.54 2.577 150 1025.02 2.565 306 1021.73 2.557 321 1020.51 2.554 230 1017.21 2.546 617 1013.92 2.538 204 1012.70 2.534 358 1009.40 2.526 341 1004.88 2.515 173 498.05 1.247 265 494.02 1.237 744 490.97 1.229 941 489.87 1.226 826 487.67 1.221 435 487.18 1.220 469 486.45 1.218 980 483.28 1.210 301 482.67 1.208 331 479.13 1.199 48 472.53 1.183 57 468.02 1.172 46 429.20 1.074 45 421.26 1.055 54 414.43 1.037 274 413.94 1.036 326 410.64 1.028 933 406.86 1.019 700 406.13 1.017 554 402.71 1.008 983 399.17 0.999 713 395.39 0.990 276 390.50 0.978 31 389.04 0.974 37
in CDCl3
liquid film
