PYRROLIDINODITHIOCARBAMIC ACID ALLYL ESTER(701-13-3) 13C NMR
Product NamePYRROLIDINODITHIOCARBAMIC ACID ALLYL ESTER
CAS701-13-3
Molecular FormulaC8H13NS2
Molecular Weight187.33
InChIInChI=1S/C8H13NS2/c1-2-7-11-8(10)9-5-3-4-6-9/h2H,1,3-7H2
InChIKey GDQCWIUHBJJDNL-UHFFFAOYSA-N
SmilesN1(C(=S)SCC=C)CCCC1
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MassMS-NW-9485 allyl 1-pyrrolidinecarbodithioate C8H13NS2 (Mass of molecular ion: 187)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 4.3 28.0 10.9 29.0 3.3 30.0 2.8 39.0 9.4 40.0 1.5 41.0 18.2 42.0 3.8 43.0 10.3 44.0 2.3 45.0 4.3 53.0 1.6 54.0 1.6 55.0 26.9 56.0 2.9 58.0 1.3 59.0 1.6 60.0 2.6 68.0 4.1 69.0 1.2 70.0 53.1 71.0 3.4 72.0 43.9 73.0 4.0 74.0 3.0 76.0 2.1 77.0 6.4 82.0 4.4 85.0 2.3 86.0 2.3 87.0 1.7 88.0 6.9 100.0 1.3 114.0 100.0 115.0 7.7 116.0 4.8 120.0 1.2 146.0 17.2 147.0 1.6 148.0 1.6 154.0 3.6 158.0 2.8 161.0 1.8 172.0 5.4 187.0 40.7 188.0 4.6 189.0 3.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H13 N S2 0.05 ml : 0.5 ml CDCl3 allyl 1-pyrrolidinecarbodithioate 
Assign. Shift(ppm)
A 5.930 B 5.303 C 5.142 D 4.001 E *1 3.922 F *1 3.654 G *2 2.081 J *2 1.986
Hz ppm Int.2391.24 5.984 145 2384.16 5.966 304 2381.23 5.959 163 2377.20 5.949 161 2374.15 5.941 476 2367.19 5.924 504 2364.26 5.916 185 2360.23 5.906 183 2357.18 5.899 369 2350.22 5.881 185 2129.52 5.329 211 2128.05 5.325 540 2126.59 5.322 534 2125.24 5.318 213 2112.43 5.286 186 2111.08 5.283 477 2109.62 5.279 472 2108.28 5.276 186 2061.77 5.159 248 2060.79 5.157 473 2060.18 5.155 371 2059.81 5.155 376 2059.33 5.153 421 2058.35 5.151 217 2053.96 5.140 30 2051.76 5.134 231 2050.78 5.132 444 2050.17 5.130 352 2049.80 5.129 360 2049.32 5.128 406 2048.34 5.126 215 1603.76 4.013 758 1602.78 4.011 1000 1601.44 4.008 686 1596.80 3.996 730 1595.70 3.993 984 1594.48 3.990 695 1574.58 3.940 535 1567.63 3.923 868 1560.67 3.906 536 1467.16 3.672 503 1460.45 3.655 884 1453.49 3.637 575 846.68 2.119 101 845.70 2.117 105 839.84 2.102 352 838.87 2.100 375 832.28 2.083 654 825.32 2.066 525 819.34 2.051 202 818.60 2.049 202 805.66 2.016 197 804.69 2.014 182 798.95 2.000 542 791.50 1.981 636 785.03 1.965 381 778.32 1.948 113 777.10 1.945 106
in CDCl3
liquid film
