N-METHYLSACCHARIN(15448-99-4) IR1
Product NameN-METHYLSACCHARIN
CAS15448-99-4
Molecular FormulaC8H7NO3S
Molecular Weight197.21
InChIInChI=1S/C8H7NO3S/c1-9-8(10)6-4-2-3-5-7(6)13(9,11)12/h2-5H,1H3
InChIKey DDIIAJRLFATEEE-UHFFFAOYSA-N
SmilesS1(=O)(=O)C2=C(C=CC=C2)C(=O)N1C
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MassMS-NW-0237 N-methyl-o-sulfobenzoic cyclic imide C8H7NO3S (Mass of molecular ion: 197)
Source Temperature: 170 °C Sample Temperature: 0 °C Direct, 75 eV
15.0 2.0 18.0 3.4 27.0 1.2 28.0 6.1 29.0 1.0 38.0 2.5 39.0 5.2 40.0 6.2 45.5 1.4 48.0 1.8 49.0 1.8 50.0 44.0 51.0 10.9 52.0 2.9 53.0 1.5 56.0 1.6 61.0 1.5 62.0 1.7 63.0 9.0 64.0 5.5 65.0 2.3 69.0 4.1 70.0 2.7 73.0 2.5 74.0 17.2 75.0 17.1 76.0 63.2 77.0 23.3 78.0 12.0 79.0 1.3 82.0 1.2 84.0 5.5 90.0 5.3 91.0 1.0 92.0 8.8 93.0 1.1 95.0 2.3 96.0 3.6 97.0 2.1 102.0 1.9 103.0 11.4 104.0 56.2 105.0 41.1 106.0 9.4 108.0 1.4 117.0 9.3 118.0 1.1 119.0 1.5 120.0 6.8 121.0 4.6 132.0 49.5 133.0 59.7 134.0 5.3 140.0 1.7 150.0 1.5 152.5 2.7 169.0 10.4 170.0 1.0 196.0 7.7 197.0 100.0 198.0 10.3 199.0 5.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H7 N O3 S 0.034 g : 0.5 ml CDCl3 N-methyl-o-sulfobenzoic cyclic imide 
Assign. Shift(ppm)
A 8.069 B 7.947 C 7.88 D 7.85 E 3.273
Hz ppm Int.3229.49 8.081 58 3228.88 8.080 67 3228.27 8.078 64 3227.17 8.075 59 3221.92 8.062 87 3220.83 8.060 74 3220.09 8.058 72 3182.25 7.963 48 3181.64 7.962 51 3180.54 7.959 66 3175.05 7.945 75 3173.95 7.942 88 3173.46 7.941 94 3172.73 7.939 86 3158.81 7.904 45 3157.47 7.901 53 3151.37 7.886 104 3149.90 7.882 100 3144.17 7.868 81 3142.46 7.864 143 3140.87 7.860 93 3135.01 7.845 97 3133.67 7.842 80 3127.56 7.826 34 1308.59 3.275 1000
in CDCl3
KBr disc
nujol mull
