Benzamide(55-21-0) Raman
Molecular FormulaC7H7NO
Molecular Weight121.14
InChIInChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
InChIKey KXDAEFPNCMNJSK-UHFFFAOYSA-N
SmilesC(N)(=O)C1=CC=CC=C1
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MassMS-NW-0224 benzamide C7H7NO (Mass of molecular ion: 121)
Source Temperature: 160 °C Sample Temperature: 0 °C Direct, 75 eV
16.0 1.6 26.0 1.2 27.0 4.6 28.0 1.6 37.0 4.4 38.0 5.7 39.0 7.7 43.0 1.0 44.0 13.7 47.0 1.4 49.0 3.0 50.0 30.1 51.0 56.8 52.0 7.8 53.0 1.2 61.0 1.4 62.0 2.5 63.0 2.8 65.0 2.8 73.0 3.1 74.0 13.3 75.0 6.8 76.0 7.4 77.0 100.0 78.0 13.1 92.0 1.1 104.0 1.2 105.0 80.3 106.0 7.3 121.0 68.4 122.0 6.3
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H7 N O 0.041 g : 0.5 ml DMSO-d6 benzamide 
Assign. Shift(ppm)
A *1 8.05 B 7.925 C 7.531 D 7.47 E *1 7.46
Hz ppm Int.3216.80 8.050 220 3171.88 7.937 669 3170.78 7.934 834 3169.31 7.931 458 3165.77 7.922 291 3163.82 7.917 973 3162.23 7.913 712 3019.04 7.555 159 3011.72 7.536 496 3009.40 7.531 175 3005.86 7.522 284 3004.52 7.518 436 3003.17 7.515 251 2992.55 7.488 741 2986.33 7.473 608 2984.99 7.470 1000 2979.49 7.456 372 2977.91 7.452 560
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1H NMR 89.56 MHz C7 H7 N O 0.045 g : 0.5 ml DMSO-d6 benzamide Assign. Shift(ppm)
A *1 8.0 B 7.92 C 7.49 D 7.47 E *1 7.4
Hz ppm Int.721.88 8.061 88 717.13 8.008 167 714.25 7.976 436 712.31 7.954 483 709.19 7.919 387 707.50 7.900 421 704.50 7.867 555 702.69 7.847 130 700.56 7.823 62 699.88 7.815 57 699.13 7.807 63 681.88 7.614 57 680.38 7.597 54 677.75 7.568 179 676.19 7.551 304 673.38 7.519 1000 671.56 7.499 899 668.38 7.463 485 666.94 7.447 428 666.06 7.438 519 663.88 7.413 207 663.00 7.403 237 661.50 7.387 228 659.06 7.359 124 657.19 7.338 108 655.38 7.318 62 654.81 7.312 58 654.06 7.304 53
KBr disc
nujol mull
4880 A,200 M,powder
