Product Namecis-1-(2-Furyl)-4-(2-thienyl)-1-buten-3-yne
Molecular FormulaC12H8OS
Molecular Weight200.25632
InChIInChI=1S/C12H8OS/c1(5-11-6-3-9-13-11)2-7-12-8-4-10-14-12/h1,3-6,8-10H/b5-1-
InChIKey HAKDYPJVGUKNJQ-KTAJNNJTSA-N
SmilesC(/C1=CC=CO1)=C/C#CC1SC=CC=1
parameter in CDCl3
-
1H NMR 300 MHz C12 H8 O S in CCl4 cis-1-(2-furyl)-4-(2-thienyl)-1-buten-3-yne 
Parameter ppm Hz
D(A) 7.16 D(B) 6.92 D(C) 7.16 J(A,B) 4.7 J(A,C) 0.0 J(B,C) 4.0 D(D) 5.64 D(E) 6.58 D(F) 7.01 D(G) 6.37 D(H) 7.31 J(D,E) 12.00 J(D,F) 0.0 J(D,G) 0.0 J(D,H) 0.0 J(E,F) 0.0 J(E,G) 0.6 J(E,H) 0.6 J(F,G) 3.4 J(F,H) 0.0 J(G,H) 1.8 BOHLMANN,F. & ARNDT,C. CHEM.BER. 99, 135 (1966)
Hz ppm Int.2194.13 7.314 386 2193.65 7.312 402 2192.36 7.308 409 2191.89 7.306 396 2150.23 7.167 844 2145.90 7.153 1000 2104.71 7.016 564 2101.33 7.004 584 2080.21 6.934 324 2076.22 6.921 348 2075.55 6.918 343 2071.54 6.905 256 1980.13 6.600 348 1968.15 6.560 381 1913.81 6.379 204 1913.33 6.378 211 1912.03 6.373 220 1911.52 6.372 223 1910.45 6.368 220 1909.95 6.366 214 1908.65 6.362 204 1908.16 6.361 193 1697.87 5.660 592 1685.88 5.620 544