Thiophene(110-02-1) Raman
Molecular FormulaC4H4S
Molecular Weight84.14
InChIInChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H
InChIKey YTPLMLYBLZKORZ-UHFFFAOYSA-N
SmilesC1SC=CC=1
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MassMS-NW-5068 thiophene C4H4S (Mass of molecular ion: 84)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 1.7 32.0 1.1 37.0 3.1 38.0 4.1 39.0 19.7 40.0 1.4 41.0 1.3 42.0 2.5 44.0 1.5 45.0 34.9 47.0 1.7 49.0 1.9 50.0 4.0 51.0 2.9 57.0 8.0 58.0 54.1 59.0 2.2 60.0 2.7 69.0 5.9 81.0 3.3 82.0 2.5 83.0 5.9 84.0 100.0 85.0 5.7 86.0 4.9
90 MHz in CDCl3
parameter in TMS
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1H NMR 89.56 MHz C4 H4 S 0.04 ml : 0.5 ml CDCl3 thiophene 
Assign. Shift(ppm)
A 7.327 B 7.116
Hz ppm Int.663.63 7.410 27 659.88 7.369 567 658.94 7.358 236 658.31 7.351 316 657.38 7.341 415 656.44 7.330 446 655.00 7.314 443 653.88 7.302 1000 650.19 7.260 99 643.38 7.184 92 639.88 7.145 971 639.19 7.138 413 638.56 7.130 406 637.13 7.115 436 636.25 7.105 424 635.25 7.094 300 634.63 7.087 218 633.88 7.078 602 629.94 7.034 25
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1H NMR 300 MHz C4 H4 S in TMS thiophene Parameter ppm Hz
D(A) 7.182 D(B) 6.993 J(A,A') 2.84 J(A,B) 4.90 J(A,B') 1.04 J(A',B) 1.04 J(A',B') 4.90 J(B,B') 3.50 READ,J.M. ET AL. SPECTROCHIM.ACTA 21, 85 (1965)
Hz ppm Int.2161.61 7.205 38 2157.67 7.192 810 2156.32 7.188 390 2155.28 7.184 495 2154.23 7.181 504 2152.99 7.177 434 2151.75 7.172 1000 2147.90 7.160 55 2104.60 7.015 55 2100.75 7.002 999 2099.51 6.998 434 2098.27 6.994 504 2097.22 6.991 495 2096.18 6.987 390 2094.83 6.983 810 2090.90 6.970 38
in CDCl3
liquid film
