Product NameN-Methyl-2-pyrrolidone
CAS872-50-4
Molecular FormulaC5H9NO
Molecular Weight99.13
InChIInChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
InChIKey SECXISVLQFMRJM-UHFFFAOYSA-N
SmilesN1(C)CCCC1=O
Mass
MS-IW-9653 1-methyl-2-pyrrolidinone C5H9NO (Mass of molecular ion: 99)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 8.2 18.0 3.4 26.0 2.8 27.0 9.6 28.0 22.7 29.0 2.6 30.0 6.8 38.0 1.7 39.0 10.4 40.0 7.2 41.0 47.5 42.0 67.7 43.0 21.1 44.0 100.0 45.0 2.6 54.0 1.9 55.0 3.7 56.0 8.8 57.0 1.7 58.0 5.9 68.0 3.8 69.0 4.4 70.0 10.9 71.0 13.4 98.0 70.3 99.0 96.8 100.0 7.6
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C5 H9 N O | 0.05 ml : 0.5 ml CDCl3 |
1-methyl-2-pyrrolidinone |
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Assign. Shift(ppm) |
Hz ppm Int.
1370.97 3.431 325 1367.31 3.422 58 1363.89 3.413 398 1360.47 3.405 52 1359.01 3.401 36 1356.69 3.395 324 1138.55 2.849 831 1137.82 2.848 1000 1136.96 2.845 731 953.13 2.385 172 950.20 2.378 34 949.22 2.376 41 945.19 2.366 294 941.28 2.356 37 940.31 2.353 38 936.89 2.345 206 830.69 2.079 95 827.51 2.071 35 823.61 2.061 219 822.39 2.058 172 819.95 2.052 55 816.28 2.043 219 815.92 2.042 217 815.06 2.040 191 811.77 2.032 50 809.33 2.026 87 808.11 2.023 195 806.88 2.019 109 800.54 2.004 68 800.17 2.003 68
in CDCl3
liquid film
N-Methyl-2-pyrrolidone(872-50-4) 13C NMR Atlas of Related Products
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