Diallylformamide(18889-09-3) 13C NMR
Product NameDiallylformamide
CAS18889-09-3
Molecular FormulaC7H11NO
Molecular Weight125.17
InChIInChI=1S/C7H11NO/c1-3-5-8(7-9)6-4-2/h3-4,7H,1-2,5-6H2
InChIKey CVVVRVRQWUMYNX-UHFFFAOYSA-N
SmilesC(N(CC=C)CC=C)=O
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MassMS-NW-6040 N,N-diallylformamide C7H11NO (Mass of molecular ion: 125)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 3.0 18.0 2.2 26.0 2.6 27.0 8.5 28.0 33.3 29.0 6.8 30.0 10.4 37.0 1.2 38.0 3.4 39.0 34.0 40.0 5.2 41.0 100.0 42.0 14.9 43.0 5.1 52.0 1.4 53.0 1.3 54.0 8.7 55.0 5.0 56.0 46.2 57.0 4.2 58.0 3.1 59.0 3.2 67.0 3.7 68.0 14.2 69.0 4.1 70.0 16.9 71.0 2.5 79.0 1.5 80.0 6.4 81.0 3.4 82.0 10.7 83.0 1.8 84.0 46.5 85.0 2.6 94.0 1.4 96.0 14.1 97.0 4.1 98.0 6.5 108.0 3.0 110.0 18.3 111.0 1.4 124.0 2.9 125.0 18.8 126.0 1.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H11 N O 0.05 ml : 0.5 ml CDCl3 N,N-diallylformamide 
Assign. Shift(ppm)
A 8.130 B 5.75 C 5.71 D 5.25 E 5.22 F 5.20 G 5.17 E 3.939 K 3.835 ASSIGNED BY H-H AND C-H COSY
Hz ppm Int.3249.39 8.131 1000 2318.60 5.802 143 2312.87 5.788 304 2308.35 5.776 179 2307.13 5.773 164 2302.61 5.762 464 2301.64 5.760 249 2296.75 5.747 450 2295.90 5.745 428 2292.36 5.736 180 2291.38 5.734 246 2290.65 5.732 231 2290.04 5.731 245 2286.38 5.721 374 2285.52 5.719 564 2279.66 5.705 486 2275.39 5.694 174 2273.56 5.689 167 2269.29 5.679 334 2263.31 5.664 170 2104.00 5.265 182 2102.78 5.262 519 2101.44 5.259 616 2100.10 5.255 294 2098.02 5.250 276 2096.44 5.246 563 2095.21 5.243 459 2093.75 5.239 360 2092.41 5.236 518 2091.19 5.233 535 2089.84 5.230 240 2083.98 5.215 192 2082.64 5.212 528 2081.18 5.208 729 2079.83 5.205 537 2079.47 5.204 533 2078.25 5.201 433 2076.66 5.197 228 2075.56 5.194 290 2073.97 5.190 676 2072.39 5.186 877 2070.92 5.182 674 2069.70 5.179 271 2065.67 5.169 30 2058.47 5.151 187 2057.01 5.148 485 2055.42 5.144 479 2053.96 5.140 193 1578.86 3.951 531 1577.51 3.948 842 1576.17 3.944 553 1572.88 3.936 513 1571.53 3.933 821 1570.19 3.929 553 1536.99 3.846 503 1535.52 3.843 822 1534.18 3.839 536 1531.13 3.832 497 1529.79 3.828 806 1528.32 3.825 541
in CDCl3
liquid film
