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Table 5 The calculated and experimental wavenumbers of the studied compound 3

From: Structural and spectral investigations of the recently synthesized chalcone (E)-3-mesityl-1-(naphthalen-2-yl) prop-2-en-1-one, a potential chemotherapeutic agent

Assignment

Calculated

Experimental

Ï… (CH, aromatic)

3096–3046

3090–3030

Ï… (=C20H21)

3092

3090

Ï… (=C22H23)

3053

 

Ï… (CHasym, CH3)

3011–2971

3016–2919

Ï… (CHsym, CH3)

2928–2922

2852

Ï… (C=O)

1649

1626

Ï…C20=C22

1614

1604

Ï…C=C (aromatic)

1611–1489

1546–1500

δCH in-plane methyl

1466–1441

1469–1433

δCH out-of-plane methyl

1419–1396

1391

δmethyl umbrella

1373–1367

1365

δCH aromatic in plane

1362–1333, 1265–1116, 1008

1353, 1345, 1237–1130

δ (=C-H in plane)

1318, 1278

1299, 1290

δCH aromatic out-of-plane

967, 960, 937, 904–816, 765, 748–691

975, 960, 885–827, 760, 745–680

δ (=C-H out-of-plane)

995, 883

996, 885

δmethyl rocking

1049–1014

1070–1015

  1. υ streching, δ bending