N-Vinylcaprolactam(2235-00-9) 13C NMR
Product NameN-Vinylcaprolactam
CAS2235-00-9
Molecular FormulaC8H13NO
Molecular Weight139.19
InChIInChI=1S/C8H13NO/c1-2-9-7-5-3-4-6-8(9)10/h2H,1,3-7H2
InChIKey JWYVGKFDLWWQJX-UHFFFAOYSA-N
SmilesN1(C=C)CCCCCC1=O
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MassMS-IW-9664 1-vinylhexahydro-2-azepinone C8H13NO (Mass of molecular ion: 139)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.3 26.0 2.6 27.0 20.9 28.0 37.4 29.0 7.7 30.0 6.9 38.0 1.0 39.0 14.1 40.0 4.0 41.0 32.7 42.0 16.6 43.0 12.8 44.0 37.6 45.0 1.1 51.0 1.0 52.0 1.3 53.0 3.5 54.0 16.9 55.0 42.3 56.0 100.0 57.0 19.7 58.0 1.8 67.0 6.5 68.0 25.2 69.0 12.8 70.0 21.9 71.0 1.5 75.0 1.2 77.0 1.0 79.0 1.4 80.0 2.5 81.0 1.2 82.0 34.7 83.0 13.1 84.0 12.4 85.0 1.2 94.0 1.0 96.0 41.6 97.0 4.3 110.0 10.3 111.0 13.0 112.0 1.1 138.0 5.1 139.0 62.3 140.0 6.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C8H13NO 0.039 g : 0.5 ml CDCl3 1-vinylhexahydro-2-azepinone 
Assign. Shift(ppm)
A 7.381 B 4.466 C 4.399 D 3.586 E 2.630 F 1.74 G 1.672
Hz ppm Int.2963.38 7.413 613 2954.11 7.390 633 2947.27 7.373 642 2937.87 7.349 634 1793.71 4.487 619 1792.49 4.484 641 1777.59 4.447 601 1776.37 4.444 643 1763.80 4.412 728 1762.58 4.409 690 1754.52 4.389 729 1753.30 4.386 656 1437.87 3.597 1000 1432.87 3.585 581 1428.11 3.573 854 1057.13 2.645 934 1050.79 2.629 585 1048.47 2.623 411 1045.90 2.617 761 717.41 1.795 78 714.73 1.788 120 711.80 1.781 195 709.23 1.775 259 704.11 1.762 515 697.51 1.745 778 696.17 1.742 872 693.97 1.736 725 688.60 1.723 510 682.99 1.709 297 680.30 1.702 257 676.76 1.693 386 671.64 1.680 474 667.00 1.669 558 661.87 1.656 368 656.26 1.642 182
in CDCl3
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