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Product NameEthyl 2-methylnicotinate
CAS1721-26-2
Molecular FormulaC9H11NO2
Molecular Weight165.19
InChIInChI=1S/C9H11NO2/c1-3-12-9(11)8-5-4-6-10-7(8)2/h4-6H,3H2,1-2H3
InChIKey TZORNSWZUZDUCU-UHFFFAOYSA-N
SmilesC1(C)=NC=CC=C1C(OCC)=O
1HNMR
Raman
IR
FT-IR
parameter in DMSO-d6
Parameter ppm Hz D(A) 8.75 D(B) 7.43 D(C) 8.31 J(A,B) 4.9 J(A,C) 1.8 J(B,C) 7.9 D(D) 2.71 D(E) 4.42 D(F) 1.37 J(E,F) 7.2 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962)
Hz ppm Int.
2628.40 8.761 88 2626.62 8.755 92 2623.47 8.745 93 2621.76 8.739 93 2497.92 8.326 88 2496.14 8.320 87 2489.99 8.300 94 2488.27 8.294 92 2235.32 7.451 88 2230.40 7.435 88 2227.52 7.425 85 2222.60 7.409 81 1336.90 4.456 83 1329.64 4.432 247 1322.46 4.408 252 1315.28 4.384 87 813.00 2.710 1000 418.22 1.394 257 411.03 1.370 502 403.85 1.346 247
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