PROPYLENE SULFIDE(1072-43-1) IR1
Product NamePROPYLENE SULFIDE
CAS1072-43-1
Molecular FormulaC3H6S
Molecular Weight74.14
InChIInChI=1S/C3H6S/c1-3-2-4-3/h3H,2H2,1H3
InChIKey MBNVSWHUJDDZRH-UHFFFAOYSA-N
SmilesS1CC1C
90 MHz in CDCl3
400 MHz in CDCl3
parameter in CCl4
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1H NMR 89.56 MHz C3 H6 S 0.04 ml : 0.5 ml CDCl3 1,2-epithiopropane 
Assign. Shift(ppm)
A 2.90 B 2.497 C 2.107 D 1.512
Hz ppm Int.269.75 3.012 80 264.00 2.948 154 258.31 2.885 156 257.75 2.878 169 254.63 2.844 31 253.88 2.835 38 252.13 2.816 130 246.56 2.754 48 226.81 2.533 224 225.94 2.523 226 222.88 2.489 35 220.63 2.464 161 219.69 2.453 174 191.81 2.142 194 191.06 2.134 184 186.13 2.079 174 185.50 2.072 160 138.13 1.543 1000 135.25 1.511 87 133.94 1.496 145 132.38 1.479 904
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1H NMR 399.65 MHz C3 H6 S 0.05 ml : 0.5 ml CDCl3 1,2-epithiopropane Assign. Shift(ppm)
A 2.912 B 2.500 C 2.114 D 1.511 J(A,D)=5.6HZ. J(A,C)=5.6HZ. J(B,C)=0.8HZ. J(A,B)=6.4HZ.
Hz ppm Int.1178.71 2.950 43 1172.97 2.935 154 1167.24 2.921 265 1161.38 2.906 261 1155.27 2.891 164 1149.54 2.877 50 1002.44 2.509 283 1001.59 2.507 307 996.22 2.493 265 995.24 2.491 292 848.14 2.123 264 847.17 2.120 276 842.53 2.109 250 842.16 2.108 255 841.55 2.106 270 619.51 1.551 49 613.77 1.536 64 606.81 1.519 1000 603.52 1.511 91 601.07 1.504 1000 594.24 1.487 34
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1H NMR 300 MHz C3 H6 S in CCl4 1,2-epithiopropane Parameter ppm Hz
D(A) 2.79 D(B) 2.40 D(C) 2.01 J(A,B) 6.22 J(A,C) 5.40 J(B,C) -0.86 D(D) 1.50 OHTSUKA,M. ET AL. TETRAHEDRON LETT. 33, 2877 (1970)
Hz ppm Int.842.92 2.810 78 837.50 2.792 97 836.74 2.789 101 831.32 2.771 91 723.44 2.411 102 722.63 2.409 103 717.22 2.391 92 716.40 2.388 93 606.09 2.020 101 605.27 2.018 100 600.68 2.002 96 599.86 2.000 95 450.00 1.500 1000
in CDCl3
liquid film
