(S)-1-Benzyl-3-pyrrolidinol (101385-90-4) 1H NMR
Product Name(S)-1-Benzyl-3-pyrrolidinol
CAS101385-90-4
Molecular FormulaC11H15NO
Molecular Weight177.24
InChIInChI=1S/C11H15NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2/t11-/m0/s1
InChIKey YQMXOIAIYXXXEE-NSHDSACASA-N
SmilesN1(CC2=CC=CC=C2)CC[C@H](O)C1
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MassMS-IW-4098 (S)-1-benzyl-3-pyrrolidinol C11H15NO (Mass of molecular ion: 177)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.2 28.0 2.1 29.0 1.4 30.0 1.8 39.0 3.5 41.0 4.4 42.0 89.8 43.0 5.6 44.0 3.5 51.0 2.1 55.0 2.1 56.0 1.1 57.0 1.9 58.0 1.4 63.0 1.8 65.0 15.3 66.0 1.0 68.0 1.2 70.0 1.3 77.0 2.1 82.0 1.0 86.0 34.1 87.0 1.7 89.0 2.9 90.0 1.6 91.0 100.0 92.0 12.9 100.0 22.5 101.0 1.3 104.0 3.9 105.0 2.3 118.0 2.3 120.0 2.1 131.0 1.1 132.0 24.2 133.0 34.9 134.0 4.1 157.0 1.3 158.0 1.0 176.0 15.7 177.0 36.1 178.0 5.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H15 N O 0.05 ml : 0.5 ml CDCl3 (S)-1-benzyl-3-pyrrolidinol 
Assign. Shift(ppm)
A 7.28 B 7.24 C 4.273 D 4.00 E 3.579 F *1 2.779 G 2.575 J 2.558 K *2 2.316 L *1 2.131 M *2 1.679 J(C,J)=5.2HZ J(C,G)=3.2HZ
Hz ppm Int.2918.95 7.304 45 2914.67 7.294 759 2914.31 7.293 759 2909.91 7.282 806 2904.42 7.268 70 2902.47 7.263 79 2901.12 7.260 79 2899.90 7.257 70 2896.12 7.247 226 2892.70 7.239 106 2891.85 7.236 145 2890.14 7.232 76 2888.67 7.229 68 2887.45 7.225 143 2885.25 7.220 58 2884.40 7.218 49 2883.18 7.215 75 2881.71 7.211 47 2878.78 7.204 33 1717.29 4.297 41 1714.36 4.290 77 1711.55 4.283 71 1709.47 4.278 106 1706.67 4.271 104 1704.35 4.265 75 1701.66 4.258 80 1698.73 4.251 44 1596.56 3.995 40 1430.79 3.581 1000 1122.44 2.809 58 1117.07 2.796 68 1114.01 2.788 94 1113.40 2.786 90 1108.64 2.775 95 1108.03 2.773 97 1105.10 2.766 79 1099.73 2.752 73 1038.45 2.599 32 1035.28 2.591 41 1028.20 2.573 230 1025.51 2.567 436 1020.39 2.554 271 1015.38 2.541 54 1010.13 2.528 60 937.99 2.348 68 931.52 2.331 86 929.44 2.326 116 922.85 2.310 120 920.29 2.303 89 913.82 2.287 84 869.14 2.175 43 863.89 2.162 46 861.57 2.156 53 860.84 2.154 52 855.59 2.141 97 853.27 2.136 46 850.22 2.128 61 847.90 2.122 93 842.65 2.109 63 841.92 2.107 56 839.60 2.101 45 834.23 2.088 38 686.04 1.717 36 683.35 1.710 36 679.44 1.701 44 677.73 1.696 60 675.66 1.691 47 672.00 1.682 56 669.31 1.675 57 665.89 1.667 42 663.82 1.662 53 661.99 1.657 40 657.84 1.647 32 655.27 1.640 30
in CDCl3
liquid film
