3-Piperidinemethanol(4606-65-9) MS
Product Name3-Piperidinemethanol
CAS4606-65-9
Molecular FormulaC6H13NO
Molecular Weight115.17
InChIInChI=1S/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2
InChIKey VUNPWIPIOOMCPT-UHFFFAOYSA-N
SmilesN1CCCC(CO)C1
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MassMS-NW-6367 3-piperidinemethanol C6H13NO (Mass of molecular ion: 115)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 5.1 17.0 4.5 18.0 21.5 26.0 2.9 27.0 19.4 28.0 32.6 29.0 26.0 30.0 90.0 31.0 13.0 32.0 2.7 38.0 2.0 39.0 19.2 40.0 5.2 41.0 50.5 42.0 52.1 43.0 61.7 44.0 100.0 45.0 4.4 46.0 1.8 50.0 1.6 51.0 3.2 52.0 2.6 53.0 7.1 54.0 8.5 55.0 20.3 56.0 67.4 57.0 61.0 58.0 7.4 59.0 3.1 60.0 3.4 65.0 2.6 66.0 1.7 67.0 9.9 68.0 17.7 69.0 26.9 70.0 32.3 71.0 5.5 72.0 20.0 73.0 3.0 77.0 1.0 78.0 1.1 79.0 2.0 80.0 5.5 81.0 3.1 82.0 17.6 83.0 4.8 84.0 79.9 85.0 18.2 86.0 13.7 87.0 3.5 92.0 1.6 93.0 2.3 94.0 3.5 95.0 3.4 96.0 20.5 97.0 6.9 98.0 22.3 99.0 2.4 100.0 3.6 108.0 1.3 109.0 1.2 110.0 1.1 112.0 10.2 113.0 1.5 114.0 34.0 115.0 61.4 116.0 5.0 128.0 3.9 129.0 2.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H13 N O 0.046 g : 0.5 ml CDCl3 3-piperidinemethanol 
Assign. Shift(ppm)
A *1 3.444 B *1 3.367 C 3.36 D 3.155 E 2.984 F 2.548 G 2.339 J 1.781 K 1.68 L 1.66 M 1.469 N 1.098 J(A,B)=-10.8HZ J(A,L)=5.6HZ J(B,L)=7.3HZ J(D,G)=-11.8HZ J(E,F)=-11.7HZ J(F,K)=2.9HZ J(G,L)=10.3HZ J(J,N)=-13.2HZ J(K,M)=-13.2HZ J(K,N)=4.0HZ
Hz ppm Int.1398.19 3.499 33 1397.09 3.496 35 1386.23 3.469 435 1380.62 3.455 489 1375.49 3.442 809 1369.87 3.428 785 1365.48 3.417 124 1354.74 3.390 851 1347.41 3.372 1000 1343.87 3.363 773 1336.67 3.345 827 1311.04 3.281 50 1308.23 3.274 41 1306.76 3.270 39 1306.15 3.269 38 1305.91 3.268 38 1304.69 3.265 38 1302.25 3.259 31 1282.10 3.209 32 1268.07 3.173 338 1266.24 3.169 327 1264.89 3.165 330 1256.23 3.144 354 1253.05 3.136 326 1198.97 3.001 346 1195.31 2.991 229 1190.19 2.979 262 1186.89 2.970 371 1031.25 2.581 274 1028.32 2.574 282 1019.53 2.552 469 1016.72 2.545 442 1007.69 2.522 271 1004.76 2.515 236 945.92 2.367 439 942.14 2.358 78 935.67 2.342 573 934.08 2.338 491 923.83 2.312 420 721.31 1.805 266 719.24 1.800 270 717.53 1.796 287 713.50 1.786 210 712.28 1.783 208 708.37 1.773 293 706.42 1.768 295 704.71 1.764 304 696.04 1.742 61 693.85 1.737 69 687.01 1.720 153 683.47 1.711 269 679.93 1.702 359 676.15 1.692 311 673.46 1.686 306 669.92 1.677 466 666.63 1.669 545 663.09 1.660 458 659.18 1.650 329 655.64 1.641 243 655.40 1.640 243 654.30 1.638 241 652.34 1.633 231 648.56 1.623 181 645.26 1.615 119 643.19 1.610 91 641.48 1.606 94 637.70 1.596 56 607.54 1.521 102 603.64 1.511 166 599.61 1.501 123 595.95 1.492 205 594.12 1.487 175 591.92 1.482 325 588.01 1.472 204 584.23 1.462 171 582.52 1.458 194 580.20 1.452 249 578.74 1.449 255 576.29 1.442 151 574.71 1.439 138 571.04 1.429 99 567.02 1.419 130 562.99 1.409 67 458.13 1.147 163 454.10 1.137 166 451.54 1.130 65 446.17 1.117 291 442.87 1.109 277 434.20 1.087 265 430.42 1.077 241 422.36 1.057 140 416.50 1.043 156 410.16 1.027 33
in CDCl3
KBr disc
liquid film
nujol mull
