2,2'-Furoin(552-86-3) 13C NMR
Product Name2,2'-Furoin
CAS552-86-3
Molecular FormulaC10H8O4
Molecular Weight192.17
InChIInChI=1S/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H
InChIKey MIJRFWVFNKQQDK-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=CO1)C(C1=CC=CO1)O
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MassMS-NW-0508 2,2'-furoin C10H8O4 (Mass of molecular ion: 192)
Source Temperature: 170 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 1.2 27.0 1.5 28.0 1.2 29.0 4.8 37.0 1.6 38.0 4.6 39.0 23.4 40.0 2.4 41.0 23.4 42.0 1.2 50.0 1.0 51.0 3.0 52.0 1.4 67.0 1.7 68.0 4.7 69.0 8.2 95.0 24.9 96.0 2.8 97.0 100.0 98.0 5.8 147.0 1.1 163.0 2.3 192.0 6.8
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H8 O4 0.041 g : 0.5 ml DMSO-d6 2,2'-furoin 
Assign. Shift(ppm)
A 8.008 B 7.611 C 7.543 D 6.703 E 6.445 F 6.428 G 6.2 J 5.825 J(A,D)=1.7HZ J(A,C)=0.7HZ J(C,D)=3.7HZ J(B,F)=1.8HZ J(B,E)=1.0HZ J(E,F)=3.3HZ J(E,J)=0.5HZ
Hz ppm Int.3201.78 8.012 749 3201.05 8.010 845 3200.20 8.008 827 3199.46 8.006 816 3043.33 7.615 769 3042.36 7.613 895 3041.50 7.611 859 3040.65 7.609 780 3016.85 7.549 712 3016.11 7.547 755 3013.18 7.540 730 3012.57 7.539 756 2681.64 6.710 754 2679.93 6.706 737 2677.98 6.701 715 2676.27 6.697 711 2578.13 6.451 361 2577.76 6.451 388 2577.27 6.449 351 2574.95 6.444 821 2574.46 6.442 832 2573.97 6.441 732 2570.80 6.433 804 2568.97 6.429 773 2567.50 6.425 372 2565.67 6.420 367 2458.13 6.151 30 2328.00 5.826 1000
in DMSO-d6
KBr disc
nujol mull
