(R)-(-)-3-Pyrrolidinol hydrochloride(104706-47-0) MS
Product Name(R)-(-)-3-Pyrrolidinol hydrochloride
CAS104706-47-0
Molecular FormulaC4H10ClNO
Molecular Weight123.58
InChIInChI=1/C4H9NO.ClH/c6-4-1-2-5-3-4;/h4-6H,1-3H2;1H/t4-;/s3
InChIKey QPMSJEFZULFYTB-NDILARRWNA-N
Smiles[C@H]1(O)CNCC1.Cl |&1:0,r|
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MassMS-IW-4172 (R)-3-pyrrolidinol hydrochloride C4H9NO HCl (Mass of molecular ion: 87)
Source Temperature: 180 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 3.9 17.0 1.0 18.0 6.3 26.0 1.2 27.0 5.6 28.0 27.0 29.0 9.4 30.0 49.7 31.0 5.7 32.0 1.0 35.0 7.3 36.0 77.1 37.0 2.6 38.0 35.3 39.0 5.0 40.0 2.6 41.0 15.2 42.0 29.4 43.0 100.0 44.0 15.2 56.0 3.3 57.0 9.1 58.0 2.9 59.0 11.6 67.0 1.2 68.0 6.0 69.0 1.7 70.0 2.7 72.0 1.9 86.0 3.6 87.0 65.7 88.0 6.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H9 N O 0.039 g : 0.5 ml DMSO-d6 (R)-3-pyrrolidinol hydrochloride 
Assign. Shift(ppm)
A 9.49 B 5.42 C 4.39 D *1 3.21 E *1 3.18 F 3.132 G 3.008 J *2 1.89 K *2 1.86 ASSIGNED BY CH-COSY
Hz ppm Int.3793.18 9.492 204 2166.75 5.422 246 1755.37 4.393 480 1753.08 4.387 532 1751.40 4.383 512 1297.15 3.246 57 1294.86 3.240 30 1291.96 3.233 109 1289.06 3.226 120 1286.01 3.218 610 1284.33 3.214 711 1281.13 3.206 599 1277.31 3.197 1000 1275.63 3.192 702 1273.04 3.186 624 1267.85 3.173 517 1263.89 3.163 146 1260.83 3.155 501 1256.56 3.145 584 1248.93 3.126 747 1244.51 3.115 723 1207.12 3.021 775 1195.07 2.991 513 776.06 1.942 61 771.79 1.932 57 766.60 1.919 81 762.79 1.909 299 758.51 1.898 300 753.63 1.886 675 749.51 1.876 732 747.53 1.871 560 745.24 1.865 563 741.12 1.855 511 735.93 1.842 105 734.41 1.838 101
in DMSO-d6
KBr disc
nujol mull
