Taurine(107-35-7) IR2
Molecular FormulaC2H7NO3S
Molecular Weight125.15
InChIInChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
InChIKey XOAAWQZATWQOTB-UHFFFAOYSA-N
SmilesC(S(O)(=O)=O)CN
90 MHz in DMSO-d6
-
1H NMR 89.56 MHz C2 H7 N O3 S saturated in DMSO-d6 2-amino-1-ethanesulfonic acid 
Assign. Shift(ppm)
A 7.65 B 3.05 C 2.72
Hz ppm Int.684.88 7.648 1000 286.88 3.204 61 281.38 3.142 358 280.00 3.127 351 278.81 3.114 91 278.44 3.109 86 277.75 3.102 97 275.56 3.077 814 274.81 3.069 845 273.06 3.049 542 271.25 3.029 146 268.81 3.002 800 267.63 2.989 682 265.81 2.968 101 264.44 2.953 81 264.13 2.950 64 250.13 2.793 741 248.81 2.779 719 247.69 2.766 266 245.38 2.740 450 244.69 2.733 529 242.88 2.712 934 242.06 2.703 674 237.63 2.654 452 236.25 2.638 413 234.06 2.614 94 233.38 2.606 93 233.25 2.605 93 232.81 2.600 97 232.38 2.595 74 231.75 2.588 74 230.94 2.579 64 230.56 2.575 66 230.06 2.569 59
KBr disc
nujol mull
