1-Benzyl-2-pyrrolidinone(5291-77-0) MS
Product Name1-Benzyl-2-pyrrolidinone
CAS5291-77-0
Molecular FormulaC11H13NO
Molecular Weight175.23
InChIInChI=1S/C11H13NO/c13-11-7-4-8-12(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKey LVUQCTGSDJLWCE-UHFFFAOYSA-N
SmilesN1(CC2=CC=CC=C2)CCCC1=O
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MassMS-NW-9718 1-benzyl-2-pyrrolidinone C11H13NO (Mass of molecular ion: 175)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.7 28.0 3.2 39.0 7.1 41.0 10.9 42.0 4.1 43.0 4.4 50.0 1.4 51.0 4.4 52.0 1.2 55.0 1.5 56.0 1.1 58.5 1.4 63.0 3.6 64.0 1.0 65.0 18.7 66.0 1.1 68.0 1.6 69.0 5.7 70.0 4.4 71.0 6.1 77.0 4.4 78.0 2.5 79.0 1.2 84.0 34.3 85.0 1.7 87.5 1.0 89.0 4.6 90.0 2.2 91.0 82.5 92.0 21.9 93.0 1.7 98.0 6.1 104.0 32.1 105.0 7.0 106.0 6.5 117.0 2.7 118.0 15.1 119.0 3.9 120.0 1.5 130.0 1.2 131.0 6.4 132.0 4.3 146.0 45.0 147.0 6.4 174.0 16.7 175.0 100.0 176.0 13.8 177.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H13 N O 0.05 ml : 0.5 ml CDCl3 1-benzyl-2-pyrrolidinone 
Assign. Shift(ppm)
A 7.35 to 7.15 B 4.433 C 3.235 D 2.403 E 1.97
Hz ppm Int.659.69 7.366 44 657.25 7.339 99 653.50 7.297 278 651.13 7.271 1000 646.13 7.215 129 645.31 7.206 130 642.50 7.174 66 641.31 7.161 70 637.00 7.113 30 397.06 4.434 670 296.88 3.315 183 290.13 3.240 302 287.81 3.214 55 287.69 3.213 55 287.25 3.208 55 286.75 3.202 54 285.38 3.187 63 282.94 3.160 204 225.25 2.516 72 223.63 2.497 82 223.50 2.496 82 216.56 2.419 205 213.19 2.381 43 208.44 2.328 183 190.44 2.127 55 188.19 2.102 65 185.13 2.068 40 182.63 2.040 117 181.63 2.029 147 179.31 2.003 69 175.13 1.956 197 172.38 1.925 93 170.50 1.904 43 167.50 1.871 95 165.81 1.852 48 165.19 1.845 57
in CDCl3
liquid film
