2,3-Difluorobenzonitrile(21524-39-0) Raman
Product Name2,3-Difluorobenzonitrile
CAS21524-39-0
Molecular FormulaC7H3F2N
Molecular Weight139.1
InChIInChI=1S/C7H3F2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H
InChIKey GKPHNZYMLJPYJJ-UHFFFAOYSA-N
SmilesC(#N)C1=CC=CC(F)=C1F
parameter in CCl4
-
1H NMR 300 MHz C7 H3 F2 N ca 15 vol% in CCl4 2,3-difluorobenzonitrile 
Parameter ppm Hz
D(A) 7.489 D(B) 7.306 D(C) 7.434 D(X) -19.291 D(Y) -22.216 J(A,B) 8.44 J(A,C) 1.56 J(A,X) 9.92 J(A,Y) 7.63 J(B,C) 7.88 J(B,X) 4.52 J(B,Y) -1.69 J(C,X) -1.65 J(C,Y) 5.21 J(X,Y) -19.94 ABRAHAM,R.J. &.COOPER,M.A. J.CHEM.SOC. B 1968, 1094 F-19 REFERENCE : C6F3CL3
Hz ppm Int.2260.78 7.536 326 2259.11 7.530 360 2252.60 7.509 671 2250.74 7.502 918 2249.25 7.497 410 2244.39 7.481 449 2242.86 7.476 896 2241.62 7.472 594 2240.98 7.470 653 2238.71 7.462 389 2237.27 7.458 610 2235.42 7.451 434 2234.71 7.449 447 2233.46 7.445 886 2232.27 7.441 512 2231.50 7.438 576 2230.39 7.435 808 2229.97 7.433 785 2229.22 7.431 1000 2227.57 7.425 491 2225.22 7.417 630 2223.76 7.413 665 2222.06 7.407 422 2203.06 7.344 392 2200.63 7.335 539 2198.10 7.327 507 2196.48 7.322 523 2195.12 7.317 559 2194.70 7.316 552 2192.43 7.308 589 2189.82 7.299 802 2188.21 7.294 839 2186.76 7.289 444 2184.44 7.281 292 2181.52 7.272 278 2179.95 7.266 293 2176.40 7.255 18
