MOPSO(68399-77-9) 1H NMR
Product NameMOPSO
CAS68399-77-9
Molecular FormulaC7H15NO5S
Molecular Weight225.26
InChIInChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)
InChIKey NUFBIAUZAMHTSP-UHFFFAOYSA-N
SmilesC(N1CCOCC1)C(O)CS(O)(=O)=O
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MassMS-NW-7365 2-hydroxy-3-morpholino-1-propanesulfonic acid C7H15NO5S (Mass of molecular ion: 225)
Source Temperature: 190 °C Sample Temperature: 210 °C Direct, 75 eV
15.0 2.8 17.0 2.0 18.0 6.8 26.0 1.8 27.0 7.8 28.0 13.1 29.0 8.6 30.0 6.8 31.0 3.1 32.0 1.1 39.0 6.7 40.0 1.7 41.0 21.3 42.0 26.5 43.0 14.4 44.0 5.7 45.0 2.6 48.0 6.3 54.0 5.9 55.0 16.8 56.0 24.3 57.0 14.2 58.0 3.0 64.0 16.5 65.0 1.3 67.0 1.4 68.0 10.2 69.0 8.6 70.0 8.3 71.0 2.3 72.0 2.9 73.0 1.1 82.0 7.7 83.0 4.4 84.0 3.2 85.0 2.7 86.0 21.3 87.0 5.7 88.0 1.2 96.0 6.2 97.0 2.4 98.0 3.9 100.0 100.0 101.0 7.2 112.0 4.0 113.0 17.0 114.0 1.9 126.0 3.1 127.0 15.2 128.0 12.5 129.0 1.1 130.0 4.2 144.0 1.0 145.0 11.0 146.0 1.1 207.0 1.4
400 MHz in D2O
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1H NMR 399.65 MHz C7 H15 N O5 S 0.043 g : 0.5 ml D2O 2-hydroxy-3-morpholino-1-propanesulfonic acid 
Assign. Shift(ppm)
A 4.558 B 4.01 C 3.5 D *1 3.463 E *1 3.339 F *2 3.158 G *2 3.134
Hz ppm Int.1834.84 4.592 93 1831.91 4.584 99 1828.98 4.577 153 1826.05 4.570 168 1824.10 4.565 145 1822.88 4.562 131 1821.17 4.557 131 1819.95 4.554 141 1818.36 4.550 190 1815.31 4.543 172 1812.13 4.535 120 1809.20 4.527 111 1601.68 4.008 204 1393.43 3.487 355 1390.63 3.480 377 1380.00 3.454 539 1377.20 3.447 518 1345.09 3.366 484 1334.35 3.339 456 1331.67 3.333 322 1320.92 3.306 297 1277.59 3.197 150 1275.63 3.192 34 1274.78 3.190 35 1271.24 3.181 140 1269.04 3.176 46 1263.18 3.161 747 1257.57 3.147 942 1256.96 3.146 1000 1251.95 3.133 757 1246.34 3.119 73 1243.16 3.111 164 1237.55 3.097 141
in D2O
KBr disc
nujol mull
