2-(Hydroxymethyl)piperidine(3433-37-2) Raman
Product Name2-(Hydroxymethyl)piperidine
CAS3433-37-2
Molecular FormulaC6H13NO
Molecular Weight115.17
InChIInChI=1S/C6H13NO/c8-5-6-3-1-2-4-7-6/h6-8H,1-5H2
InChIKey PRAYXGYYVXRDDW-UHFFFAOYSA-N
SmilesN1CCCCC1CO
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MassMS-NW-6721 2-piperidinemethanol C6H13NO (Mass of molecular ion: 115)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.0 18.0 1.1 27.0 4.4 28.0 11.1 29.0 3.7 30.0 9.7 31.0 2.4 39.0 3.6 41.0 7.9 42.0 6.1 43.0 1.5 44.0 1.2 53.0 1.2 54.0 2.4 55.0 7.9 56.0 19.3 57.0 2.6 59.0 1.1 67.0 2.7 68.0 2.0 69.0 1.8 72.0 1.1 82.0 2.5 84.0 100.0 85.0 6.3 96.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H13 N O 0.038 g : 0.5 ml in CDCl3 2-piperidinemethanol 
Assign. Shift(ppm)
A 3.6 B *1 3.529 C *1 3.377 D 3.070 E 2.63 F 2.61 G 1.791 J 1.610 K 1.540 L 1.42 M 1.35 N 1.113 J(B,C)=-10.7HZ J(B,E)=3.7HZ J(C,E)=8.3HZ J(F,J)=2.8HZ ASSIGNED BY H-H C0SY.
Hz ppm Int.1418.46 3.550 701 1414.79 3.541 736 1407.71 3.523 959 1404.05 3.514 951 1358.40 3.399 940 1350.22 3.379 1000 1347.78 3.373 750 1339.48 3.352 752 1236.94 3.096 198 1234.50 3.089 340 1233.03 3.086 432 1230.71 3.080 278 1225.34 3.067 243 1223.02 3.061 375 1221.31 3.056 472 1217.53 3.047 250 1062.62 2.659 214 1059.08 2.651 309 1056.40 2.644 417 1054.44 2.639 631 1051.51 2.632 516 1047.97 2.623 536 1045.41 2.616 757 1042.72 2.610 876 1040.65 2.604 392 1036.99 2.595 284 1033.69 2.587 353 1030.76 2.580 368 724.85 1.814 303 723.51 1.811 309 721.56 1.806 285 716.43 1.793 225 712.65 1.784 294 712.40 1.783 294 710.57 1.778 269 709.11 1.775 261 704.47 1.763 110 700.81 1.754 46 649.41 1.625 293 646.61 1.618 245 643.92 1.612 190 638.67 1.599 424 636.96 1.594 476 628.17 1.572 171 624.63 1.563 353 622.19 1.557 374 617.55 1.546 176 615.48 1.541 187 611.45 1.530 387 611.08 1.530 387 610.72 1.529 387 609.62 1.526 401 608.03 1.522 364 605.35 1.515 172 600.71 1.504 75 598.51 1.498 62 597.90 1.497 62 597.53 1.496 62 596.80 1.494 61 594.73 1.489 47 593.38 1.485 47 592.77 1.484 46 589.84 1.476 118 588.26 1.472 74 586.06 1.467 160 582.52 1.458 104 577.15 1.445 244 573.36 1.435 357 569.82 1.426 222 565.06 1.414 261 564.45 1.413 254 561.04 1.404 411 557.50 1.395 355 555.05 1.389 271 553.96 1.387 296 552.49 1.383 273 549.68 1.376 357 548.46 1.373 343 546.14 1.367 513 542.48 1.358 311 537.23 1.345 236 533.57 1.336 412 529.91 1.326 245 524.54 1.313 115 520.87 1.304 168 517.21 1.295 98 463.99 1.161 209 459.96 1.151 180 455.93 1.141 61 451.42 1.130 394 448.73 1.123 278 447.51 1.120 300 440.19 1.102 368 436.16 1.092 288 431.64 1.081 60 427.61 1.070 175 425.42 1.065 79 423.71 1.061 108
in CDCl3
KBr disc
nujol mull
