Spectral Calculations
3D rendering The molecule phenyl 9-acridinecarboxylate.Available spectra data and plots for:
- IR Spectra
- FT-IR
- Raman IR
- NMR Spectra
- 1H Chemical Shifts and Coupling Constants (Empirical)
- 13C Chemical Shifts and Boltzmann averaged shifts as well as 13C DEPT spectra
- 2D H vs H Spectra
- COSY plots
- 2D C vs H Spectra
- HSQC spectra
- HMBC spectra
- UV/vis Spectra
Experimental spectra may be imported for comparison with calculated spectra: IR and UV/vis spectra in JCAMP (.dx) format and NMR spectra in Chemical Markup Language (.cml) format. Access to public domain spectral databases is available for:
- FT-IR Spectra
- 1H and 13C NMR spectra
- UV/vis spectra
Read more about this topic: Spartan (software)
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