1 F{1}Ortho 2017.008612 +-0.000169 2 F{3}Meta 1976.969546 +-0.000125 3 F{5}Para 1959.096674 +-0.000253 4 F{6}Alpha 1819.730009 +-0.000170 5 F{7}BettaC 1526.180718 +-0.000161 6 F{8}BettaT 1366.965093 +-0.000197 7 J{1,2}Ortho,Ortho',W 1.916983 +-0.000366 8 J{1,3}Ortho,Meta 7.788381 +-0.000237 9 J{1,4}Ortho,Meta' 0.606054 +-0.000226 10 J{1,5}Ortho,Para,W 1.244709 +-0.000262 11 J{1,6}Ortho,Alpha -0.534691 +-0.000243 12 J{1,7}Ortho,BettaC 0.038968 +-0.000208 13 J{1,8}Ortho,BettaT 0.158239 +-0.000236 14 J{3,4}Meta,Meta',W 1.418420 +-0.000371 15 J{3,5}Meta,Para 7.438980 +-0.000276 16 J{3,5}Meta,Alpha 0.369244 +-0.000193 17 J{3,6}Meta,BettaC -0.041618 +-0.000271 18 J{3,7}Meta,BettaT 0.016890 +-0.000228 19 J{5,6}Para,Alpha -0.227911 +-0.000326 20 J{5,7}Para,BettaC 0.234892 +-0.000252 21 J{5,8}Para,BettaT 0.290482 +-0.000266 22 J{6,7}Alpha,BettaC 17.600194 +-0.000233 23 J{6,8}Alpha,BettaT 10.895415 +-0.000254 24 J{7,8}BettaC,BettaT 1.038180 +-0.000244 25 Linewidth 0.048474 +-0.000184 26 Magnitude 1.660307e+08 +-2.979464e+05 Analysis of STYRENE 1H NMR spectrum Warning! Chemical shift no. 4 (1819.730009) does not fall into any of defined spectral intervals. Warning! Chemical shift no. 5 (1526.180718) does not fall into any of defined spectral intervals. Warning! Chemical shift no. 6 (1366.965093) does not fall into any of defined spectral intervals. Warning! Spectral interval no. 3 does not contain any chemical shift. Warning! Spectral interval no. 4 does not contain any chemical shift. Warning! Spectral interval no. 5 does not contain any chemical shift. Warning! Spectral interval no. 6 does not contain any chemical shift. Warning! Spectral interval no. 7 does not contain any chemical shift. Warning! Spectral interval no. 8 does not contain any chemical shift. Warning! Spectral interval no. 9 does not contain any chemical shift. Warning! Spectral interval no. 10 does not contain any chemical shift. Line Broadening: 0.000000 Theoretical spectrum linewidth: 0.048474 RSS Value: 6.090438e+15 R-Factor: 5.85 % Chemical shifts (ppm): 6.720 6.720 6.587 6.587 6.527 6.063 5.085 4.555 J-coupling constants (Hz): 1.9170 7.7884 0.6061 1.2447 -0.5347 0.0390 0.1582 0.6061 7.7884 1.2447 -0.5347 0.0390 0.1582 1.4184 7.4390 0.3692 -0.0416 0.0169 7.4390 0.3692 -0.0416 0.0169 -0.2279 0.2349 0.2905 17.6002 10.8954 1.0382 ***************************************************** *** ANATOLIA V1.0 *** *** Free open-source software for total *** *** lineshape analysis of NMR spectra *** ***************************************************** *** Copyright 2017, Dmitry Cheshkov, *** *** Dmitry Sinitsyn, Kirill Sheberstov *** ***************************************************** When publishing results obtained with this program please cite: D.A. Cheshkov, K.F. Sheberstov, D.O. Sinitsyn, V.A. Chertkov, ANATOLIA: NMR software for spectral analysis of total lineshape, Magn. Reson. Chem., 2017.