N-(3-BUTEN-1-YL)PHTHALIMIDE(52898-32-5) IR2
Product NameN-(3-BUTEN-1-YL)PHTHALIMIDE
CAS52898-32-5
Molecular FormulaC12H11NO2
Molecular Weight201.22
InChIInChI=1S/C12H11NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h2,4-7H,1,3,8H2
InChIKey ZDOLXCKKXHSEJG-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C=CC=C2)C(=O)N1CCC=C
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MassMS-IW-9340 N-(3-butenyl)phthalimide C12H11NO2 (Mass of molecular ion: 201)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
27.0 1.4 28.0 1.3 39.0 2.1 50.0 3.9 51.0 3.0 52.0 1.0 53.0 1.0 54.0 2.0 74.0 1.1 75.0 2.2 76.0 7.2 77.0 10.1 78.0 1.0 102.0 1.7 104.0 5.7 105.0 4.0 130.0 2.5 133.0 4.9 160.0 100.0 161.0 10.5 186.0 1.3 201.0 18.5 202.0 2.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H11 N O2 0.039 g : 0.5 ml CDCl3 N-(3-butenyl)phthalimide 
Assign. Shift(ppm)
A 7.841 B 7.717 C 5.798 D 5.070 E 5.024 F 3.775 G 2.455
Hz ppm Int.3143.80 7.867 55 3142.33 7.863 77 3138.55 7.854 765 3135.50 7.846 750 3133.18 7.840 620 3130.00 7.832 1000 3126.10 7.823 104 3124.88 7.820 85 3093.26 7.740 102 3092.16 7.738 126 3088.26 7.728 985 3085.33 7.721 638 3082.76 7.714 722 3079.71 7.707 762 3075.93 7.697 61 3074.46 7.693 42 2338.26 5.851 77 2331.30 5.834 161 2328.13 5.826 87 2324.34 5.816 86 2321.17 5.809 254 2314.21 5.791 263 2311.04 5.783 95 2307.25 5.774 93 2304.08 5.766 187 2297.12 5.748 91 2037.23 5.098 129 2035.64 5.094 312 2033.94 5.090 311 2032.47 5.086 137 2020.14 5.055 121 2018.55 5.051 288 2016.85 5.047 294 2015.26 5.043 193 2014.77 5.042 184 2013.67 5.039 303 2012.82 5.037 229 2011.84 5.035 250 2010.74 5.032 126 2004.64 5.016 142 2003.42 5.013 270 2002.69 5.012 210 2001.71 5.009 229 2000.61 5.006 112 1515.99 3.794 605 1509.03 3.776 963 1501.83 3.758 623 993.04 2.485 113 991.82 2.482 175 990.48 2.479 120 985.96 2.468 296 984.74 2.465 452 983.52 2.461 302 978.88 2.450 306 977.66 2.447 446 976.44 2.444 281 971.92 2.432 113 970.70 2.429 165 969.36 2.426 106
in CDCl3
KBr disc
nujol mull
