N-Formylpiperidine(2591-86-8) Raman
Product NameN-Formylpiperidine
CAS2591-86-8
Molecular FormulaC6H11NO
Molecular Weight113.16
InChIInChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2
InChIKey FEWLNYSYJNLUOO-UHFFFAOYSA-N
SmilesN1(C=O)CCCCC1
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MassMS-NW-8315 N-formylpiperidine C6H11NO (Mass of molecular ion: 113)
Source Temperature: 240 °C Sample Temperature: 130 °C Reservoir, 75 eV
15.0 5.0 18.0 2.9 26.0 2.8 27.0 18.8 28.0 42.5 29.0 43.9 30.0 24.5 39.0 14.7 40.0 2.8 41.0 28.3 42.0 49.1 43.0 23.3 44.0 23.3 45.0 1.5 46.0 3.5 51.0 1.4 52.0 1.2 53.0 4.1 54.0 7.4 55.0 17.7 56.0 65.2 57.0 25.8 58.0 8.5 59.0 5.9 67.0 5.5 68.0 7.0 69.0 5.6 70.0 19.7 71.0 13.7 72.0 18.6 80.0 1.3 82.0 2.6 84.0 52.6 85.0 12.2 96.0 5.7 98.0 35.0 99.0 2.1 112.0 32.7 113.0 100.0 114.0 10.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H11 N O 0.04 ml : 0.5 ml CDCl3 N-formylpiperidine 
Assign. Shift(ppm)
A 8.008 B 3.483 C 3.318 D 1.693 E 1.59 F 1.55 ASSIGNED BY H-H COSY AND C-H COSY
Hz ppm Int.3210.57 8.034 37 3209.96 8.032 36 3200.68 8.009 945 1408.33 3.524 41 1397.83 3.498 846 1392.09 3.484 909 1386.47 3.470 796 1342.41 3.359 43 1340.94 3.356 36 1331.67 3.333 1000 1326.05 3.319 969 1320.56 3.305 885 1316.41 3.294 32 693.12 1.735 40 689.45 1.726 152 687.99 1.722 183 684.81 1.714 275 683.84 1.712 335 682.50 1.708 344 680.30 1.703 387 677.12 1.695 714 673.10 1.685 446 671.63 1.681 582 668.70 1.674 317 666.02 1.667 290 663.57 1.661 91 659.18 1.650 42 656.01 1.642 43 646.97 1.619 139 645.26 1.615 350 643.80 1.611 166 641.85 1.607 353 639.77 1.601 565 638.06 1.597 467 634.16 1.587 816 631.84 1.581 343 630.25 1.578 331 627.93 1.572 620 622.31 1.558 618 616.33 1.543 770 610.60 1.528 367 604.86 1.514 193
in CDCl3
liquid film
