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2-Methylbenzoselenazole(2818-88-4) 1H NMR
Product Name2-Methylbenzoselenazole
CAS2818-88-4
Molecular FormulaC8H7NSe
Molecular Weight196.11
InChIInChI=1S/C8H7NSe/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3
InChIKey VYFYELQQECQPHU-UHFFFAOYSA-N
Smiles[Se]1C2=CC=CC=C2N=C1C
parameter in acetone
parameter in DMSO-d6
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1H NMR 300 MHz C8 H7 N Se in acetone 2-methylbenzoselenazole 
Parameter ppm Hz
D(A) 7.917 D(B) 7.453 D(C) 7.295 D(D) 8.017 J(A,B) 8.12 J(A,C) 1.32 J(A,D) 0.53 J(B,C) 7.28 J(B,D) 1.26 J(C,D) 7.98 D(E) 2.820 TOBIASON,F.L. & GOLDSTEIN,J.H. SPECTROCHIM.ACTA 23A, 1385 (1967)
Hz ppm Int.2409.58 8.032 65 2408.76 8.029 65 2401.66 8.006 72 2400.84 8.003 70 2379.70 7.932 62 2378.78 7.929 65 2371.64 7.905 70 2370.76 7.903 71 2244.40 7.481 41 2243.13 7.477 42 2237.11 7.457 63 2235.85 7.453 71 2235.12 7.450 48 2229.04 7.430 51 2227.78 7.426 49 2196.44 7.321 54 2195.13 7.317 54 2189.11 7.297 53 2188.48 7.295 67 2187.85 7.293 60 2187.17 7.291 60 2181.24 7.271 38 2179.93 7.266 37 846.00 2.820 1000
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1H NMR 300 MHz C8 H7 N Se 5 mol% in DMSO-d6 2-methylbenzoselenazole Parameter ppm Hz
D(A) 7.96 D(B) 7.46 D(C) 7.31 D(D) 8.05 J(A,B) 8.27 J(A,C) 1.26 J(A,D) 0.48 J(B,C) 7.28 J(B,D) 1.23 J(C,D) 7.99 D(E) 2.81 KATRITZKY,A.R. & TAKEUCHI,Y. ORG.MAGN.RESON. 2, 569 (1970)
Hz ppm Int.2419.54 8.065 79 2418.62 8.062 80 2411.62 8.039 87 2410.65 8.035 85 2392.72 7.976 77 2391.75 7.972 80 2384.51 7.948 85 2383.54 7.945 86 2246.58 7.489 43 2245.32 7.484 44 2239.25 7.464 68 2238.18 7.461 90 2231.09 7.437 54 2229.82 7.433 52 2200.91 7.336 58 2199.65 7.332 58 2192.95 7.310 80 2191.78 7.306 70 2185.66 7.286 40 2184.44 7.281 39 842.99 2.810 1000