Peak Find - caffeine4.jws 110 100 21 90 %T 18 16 1920 22 25 17 101123 80 1000 40

Question

Peak Find - caffeine4.jws 110 100 21 90 %T 18 16 1920 22 25 17 101123 80 1000 400 2000 Wavenumber [cm-1] 4000 3000 [Comments] Sample name Comment [Measurement Information] Model Name Serial Number FTIR-4100typeA B047861016 caffeine Division Company OPU Light Source Detector Accumulation Resolution Zero Filling Apodization Gain Aperture Scanning Speed Filter Standard TGS 10 4 cm-1 On Cosine Auto (2) Auto (7.1 mm) Auto (2 mm/sec) Auto (30000 Hz) [Detailed Information] Creation date 27/12/2017 18:07 Data array type Liear data array Wavenumber [cm-1] %T 399.193 cm-1 4000.6 cm-1 0.964233 cm-1 3736 Vertical axis Start Data interval Data points [ Result of Peak Picking ] No. Position Intensity 1 3733.51 96.0118 No. Position Intensity 2 3445.21 95.2626 No. Position Intensity 3 3111.58 93.7651 No. Position Intensity 4 2954.41 93.9261 [ Result of Peak Picking ] No. Position ntensity 5 2359.48 82.9238 9 1597.73 87.518 13 1428.99 84.5924 17 1238.08 85.9364 21 861.06 94.4169 25 609.396 87.0486 No. Position Intensity 6 2341.16 87.4223 10 1542.77 83.8567 14 1385.6 18 1186.97 90.9742 22 759.816 89.5782 26 482.117 85.5807 No. Position Intensity 7 1698.98 77.5246 11 1486.85 84.1224 15 1358.6 19 1024.02 89.4593 23 744.388 80.3099 27 443.547 91.8149 No. Position Intensity 8 1652.7 77.0626 12 1455.99 83.6625 16 1284.36 89.9778 20 971.947 90.1488 24 669.178 95.3291 28 424.263 85.5597 88.9442 87.5653

Explanation / Answer

The peak at ~ 3000 Cm-1 corresponds to C-H stretching vibration.

The peaks at 1850-1630 Cm-1 corresponds to C=O stretching.

The peaks at 1690-1640 Cm-1 corresponds to C=N stretching.

The peaks at 1680-1620 Cm-1 corresponds to C=C stretching.

The peaks at 1350-1000 Cm-1 corresponds to C-N stretching.

The peaks at 1450 and 1375 Cm-1 corresponds to -CH3 bending vibration.

The peaks marked 5, 6 at 2300-2400 Cm-1 may arise from the starting substrate, may be nitrile, i.e. C triple bond N.

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