ACETOHEXAMIDE(968-81-0) 13C NMR
Product NameACETOHEXAMIDE
CAS968-81-0
Molecular FormulaC15H20N2O4S
Molecular Weight324.4
InChIInChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)
InChIKey VGZSUPCWNCWDAN-UHFFFAOYSA-N
SmilesC1(S(NC(NC2CCCCC2)=O)(=O)=O)=CC=C(C(C)=O)C=C1
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MassMS-IW-3427 p-acetyl-N-(cyclohexylcarbamoyl)benzenesulfonamide C15H20N2O4S (Mass of molecular ion: 324)
Source Temperature: 150 °C Sample Temperature: 160 °C Direct, 75 eV
15.0 1.1 27.0 2.0 28.0 3.8 29.0 1.4 30.0 3.8 38.0 1.2 39.0 3.5 41.0 2.9 42.0 3.1 43.0 27.5 44.0 1.3 50.0 7.8 51.0 2.9 52.0 1.3 53.0 1.1 54.0 1.4 55.0 1.9 56.0 68.6 57.0 3.6 62.0 1.0 63.0 2.5 64.0 1.5 65.0 1.7 67.0 1.6 70.0 5.4 74.0 3.2 75.0 11.7 76.0 10.8 77.0 4.1 78.0 1.1 81.0 1.1 82.0 1.3 89.0 1.2 90.0 2.6 91.0 7.4 92.0 2.4 98.0 2.7 99.0 11.9 104.0 6.7 107.0 1.3 119.0 6.1 120.0 9.1 121.0 1.1 139.0 1.9 141.0 1.8 152.0 1.1 182.0 7.1 183.0 4.0 184.0 2.7 210.0 100.0 211.0 10.1 212.0 5.7 225.0 14.5 226.0 1.7 243.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C15 H20 N2 O4 S 0.040 g : 0.5 ml DMSO-d6 p-acetyl-N-(cyclohexylcarbamoyl)benzenesulfonamide 
Assign. Shift(ppm)
A 10.56 B 8.150 C 8.041 D 6.45 E 3.282 F 2.649 G 1.66 J 1.59 K 1.485 L 1.20 M 1.12 N 1.10 J(D,E)=8.0HZ ASSIGNED BY C-H AND H-H COSY.
Hz ppm Int.3262.18 8.163 189 3260.19 8.158 68 3255.46 8.146 79 3253.33 8.141 270 3251.65 8.137 50 3218.84 8.055 46 3217.16 8.050 284 3215.18 8.045 80 3210.45 8.034 67 3208.47 8.029 190 3206.63 8.024 30 2582.09 6.461 31 2574.31 6.442 32 1058.65 2.649 1000 666.96 1.669 45 662.38 1.658 37 656.89 1.644 44 654.60 1.638 44 644.99 1.614 32 644.38 1.613 31 641.63 1.606 37 637.66 1.596 34 632.32 1.583 42 628.66 1.574 48 490.26 1.227 37 478.67 1.198 48 465.85 1.166 42 463.56 1.160 47 461.43 1.155 46 451.35 1.130 63 441.89 1.106 49 439.00 1.099 50
in DMSO-d6
KBr disc
nujol mull
