1,3-Butadiene diepoxide(1464-53-5) MS
Product Name1,3-Butadiene diepoxide
CAS1464-53-5
Molecular FormulaC4H6O2
Molecular Weight86.09
InChIInChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2
InChIKey ZFIVKAOQEXOYFY-UHFFFAOYSA-N
SmilesO1CC1C1CO1
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MassMS-NW-1136 1,2:3,4-diepoxybutane C4H6O2 (Mass of molecular ion: 86)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 4.3 15.0 13.3 18.0 1.9 26.0 21.0 27.0 50.1 28.0 52.9 29.0 50.8 30.0 32.6 31.0 43.2 37.0 1.3 38.0 2.2 39.0 7.2 40.0 1.8 42.0 5.7 43.0 7.7 54.0 1.2 55.0 100.0 56.0 8.1 57.0 16.9 58.0 2.6 85.0 1.8
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C4 H6 O2 0.02 ml : 0.5 ml CDCl3 1,2:3,4-diepoxybutane 
Assign. Shift(ppm)
A 2.67 to 2.99
Hz ppm Int.262.25 2.929 205 261.25 2.918 457 260.69 2.911 299 260.31 2.907 337 259.63 2.899 557 258.81 2.890 975 258.25 2.884 1000 257.06 2.871 710 256.19 2.861 380 253.81 2.834 801 252.69 2.822 584 250.94 2.802 320 249.75 2.789 284 248.50 2.775 917 247.63 2.765 755 246.81 2.756 510 245.75 2.744 526 244.81 2.734 197 244.00 2.725 181 243.63 2.721 211 242.94 2.713 183 242.44 2.708 206 241.56 2.698 203 240.88 2.690 200
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1H NMR 399.65 MHz C4 H6 O2 0.05 ml : 0.5 ml CDCl3 1,2:3,4-diepoxybutane Assign. Shift(ppm)
A 2.86 B 2.83 C 2.734
Hz ppm Int.1151.00 2.881 116 1147.95 2.873 309 1147.34 2.871 406 1146.97 2.870 465 1146.00 2.868 610 1144.29 2.864 816 1143.92 2.863 801 1143.19 2.861 833 1142.33 2.859 1000 1141.48 2.857 779 1140.63 2.855 662 1139.89 2.853 322 1138.31 2.849 876 1137.08 2.846 649 1135.74 2.842 375 1134.77 2.840 276 1133.18 2.836 914 1132.45 2.834 508 1131.84 2.833 469 1131.10 2.831 393 1130.37 2.829 406 1129.88 2.828 448 1129.03 2.826 433 1125.12 2.816 92 1124.15 2.813 69 1122.92 2.810 53 1121.70 2.807 43 1121.34 2.806 44 1120.61 2.804 39 1120.00 2.803 44 1100.83 2.755 74 1096.31 2.744 904 1095.46 2.742 676 1094.73 2.740 671 1093.63 2.737 672 1091.19 2.731 676 1090.33 2.729 515 1088.99 2.725 545 1088.62 2.724 550 1084.59 2.714 81 1078.61 2.699 31
in CDCl3
liquid film
