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136997-71-2More Spectrum > 1-DIMETHYLCARBAMOYL-4-(2-SULFOETHYL)PYRIDINIUM BETAINE(136997-71-2)MS
1-DIMETHYLCARBAMOYL-4-(2-SULFOETHYL)PYRIDINIUM BETAINE
Product Name 1-DIMETHYLCARBAMOYL-4-(2-SULFOETHYL)PYRIDINIUM BETAINE
CAS136997-71-2
MFC10H14N2O4S
MW258.29
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MassMS-IW-9843 2-(1-dimethylcarbamoyl-4-pyridinio)ethanesulfonate C10H14N2O4S (Mass of molecular ion: 258)
Source Temperature: 180 °C Sample Temperature: 180 °C Direct, 75 eV
15.0 9.3 16.0 2.0 18.0 10.7 27.0 2.3 28.0 14.3 29.0 1.1 30.0 1.6 32.0 2.0 39.0 2.9 40.0 2.7 41.0 3.4 42.0 16.4 43.0 7.5 44.0 85.3 45.0 17.0 48.0 22.0 50.0 1.9 51.0 2.5 52.0 1.8 56.0 3.6 57.0 1.1 58.0 4.7 64.0 50.7 65.0 2.3 66.0 3.4 72.0 100.0 73.0 5.1 77.0 1.7 78.0 2.6 79.0 1.0 92.0 2.0 93.0 8.1 104.0 2.0 105.0 4.7 106.0 5.8 116.0 25.0 117.0 2.0 198.0 3.0
400 MHz in D2O
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1H NMR 399.65 MHz C10 H14 N2 O4 S 0.041 g : 0.5 ml D2O 2-(1-dimethylcarbamoyl-4-pyridinio)ethanesulfonate 
Assign. Shift(ppm)
A 9.002 B 8.205 C 3.492 D 3.428 E *1 3.256 F *1 2.983
Hz ppm Int.3601.20 9.011 494 3599.61 9.007 209 3595.83 8.998 213 3594.36 8.994 493 3282.47 8.214 418 3275.76 8.197 387 1406.01 3.519 64 1403.93 3.513 75 1399.29 3.502 118 1397.09 3.496 251 1394.17 3.489 55 1390.63 3.480 243 1386.84 3.471 31 1375.98 3.443 266 1375.00 3.441 239 1369.38 3.427 437 1366.70 3.420 135 1362.30 3.409 143 1360.23 3.404 98 1308.35 3.274 40 1301.27 3.257 957 1292.97 3.236 30 1291.63 3.232 33 1200.81 3.005 31 1192.38 2.984 1000
KBr disc
nujol mull
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