4-ACETYLAMINO-N-(5-METHYL-3-ISOXAZOLYL)BENZENESULFONAMIDE(21312-10-7) IR2
Molecular FormulaC12H13N3O4S
Molecular Weight295.31
InChIInChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)
InChIKey GXPIUNZCALHVBA-UHFFFAOYSA-N
SmilesC(NC1=CC=C(S(NC2C=C(C)ON=2)(=O)=O)C=C1)(=O)C
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MassMS-IW-4292 N-(5-methyl-3-isoxazolyl)-N-sulfanilylacetamide C12H13N3O4S (Mass of molecular ion: 295)
Source Temperature: 180 °C Sample Temperature: 160 °C Direct, 75 eV
14.0 4.3 15.0 3.1 17.0 2.4 18.0 13.3 26.0 2.2 27.0 6.4 28.0 10.3 29.0 1.1 34.0 1.0 38.0 2.7 39.0 11.7 40.0 3.7 41.0 9.5 42.0 22.6 43.0 45.6 44.0 2.4 48.0 1.8 50.0 1.4 51.0 2.5 52.0 4.6 53.0 5.3 54.0 3.3 55.0 2.7 57.0 1.1 62.0 1.4 63.0 4.2 64.0 7.8 65.0 54.9 66.0 9.6 67.0 2.1 68.0 2.8 69.0 1.1 78.0 1.3 79.0 2.7 80.0 6.8 81.0 3.1 83.0 1.1 90.0 1.4 91.0 5.1 92.0 100.0 93.0 28.4 94.0 1.9 97.0 2.0 98.0 5.0 99.0 1.3 105.0 1.7 106.0 15.4 107.0 8.6 108.0 71.2 109.0 20.5 110.0 1.6 118.0 3.4 119.0 25.5 120.0 2.9 122.0 11.8 123.0 16.3 124.0 4.6 125.0 12.6 126.0 1.1 132.0 1.5 140.0 11.2 141.0 1.6 145.0 2.4 146.0 26.8 147.0 28.6 148.0 4.2 149.0 1.0 156.0 93.1 157.0 8.4 158.0 4.8 160.0 2.6 162.0 12.7 163.0 2.6 173.0 20.8 174.0 12.9 175.0 2.3 188.0 10.4 189.0 83.5 190.0 10.2 231.0 22.3 232.0 3.2 253.0 8.5 254.0 1.6 295.0 3.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H13 N3 O4 S 0.036 g : 0.5 ml DMSO-d6 N-(5-methyl-3-isoxazolyl)-N-sulfanilylacetamide 
Assign. Shift(ppm)
A 7.612 B 6.660 C 6.628 D 6.41 E 2.499 F 1.914 J(C,E)=0.7HZ
Hz ppm Int.3049.68 7.631 32 3046.88 7.624 274 3045.04 7.620 72 3039.92 7.607 83 3038.09 7.602 294 3035.28 7.595 29 2668.70 6.678 42 2666.02 6.671 304 2664.06 6.666 78 2658.94 6.654 87 2657.10 6.649 294 2654.17 6.642 33 2649.54 6.630 250 2648.56 6.628 236 2561.16 6.409 192 999.15 2.501 705 998.41 2.499 612 765.01 1.915 1000
in DMSO-d6
KBr disc
nujol mull
