ZINC PENTAMETHYLENEDITHIOCARBAMATE(13878-54-1) MS
Product NameZINC PENTAMETHYLENEDITHIOCARBAMATE
CAS13878-54-1
Molecular FormulaC12H20N2S4Zn
Molecular Weight385.95
InChIInChI=1S/2C6H11NS2.Zn/c2*8-6(9)7-4-2-1-3-5-7;/h2*1-5H2,(H,8,9);/q;;+2/p-2
InChIKey YBKBEKGVHFHCRI-UHFFFAOYSA-L
SmilesN1(CCCCC1)C(=S)S[Zn]SC(=S)N1CCCCC1
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MassMS-IW-3532 zinc 1-piperidinecarbodithioate C12H20N2S4Zn (Mass of molecular ion: 384)
Source Temperature: 150 °C Sample Temperature: 180 °C Direct, 75 eV
27.0 5.6 28.0 6.8 29.0 4.3 30.0 3.7 32.0 2.1 34.0 1.6 38.0 1.1 39.0 6.7 40.0 1.4 41.0 32.7 42.0 9.0 43.0 3.7 44.0 2.9 45.0 3.1 53.0 2.7 54.0 4.2 55.0 16.6 56.0 12.2 57.0 3.1 58.0 1.3 59.0 3.5 60.0 2.5 64.0 1.5 65.0 1.0 67.0 6.6 68.0 13.2 69.0 45.6 70.0 3.7 72.0 17.9 73.0 1.6 74.0 1.2 76.0 21.6 77.0 3.2 78.0 2.1 80.0 1.2 82.0 4.8 83.0 10.7 84.0 39.2 85.0 5.4 86.0 2.5 87.0 1.6 94.0 1.0 96.0 9.5 97.0 1.1 98.0 3.4 99.0 2.0 100.0 1.5 101.0 1.4 126.0 3.0 127.0 21.0 128.0 100.0 129.0 17.0 130.0 5.4 147.0 1.0 148.0 1.2 149.0 1.0 150.0 1.0 160.0 17.4 161.0 7.2 162.0 2.1 180.0 3.9 182.0 2.5 184.0 1.6 192.0 1.2 223.0 1.2 224.0 12.8 225.0 9.2 226.0 11.4 227.0 7.3 228.0 8.1 229.0 4.1 230.0 1.9 256.0 3.5 257.0 1.1 258.0 2.5 259.0 1.0 260.0 1.7 307.0 10.7 308.0 1.9 309.0 7.1 310.0 2.1 311.0 4.9 326.0 1.2 351.0 4.6 353.0 3.2 354.0 1.0 355.0 2.3 384.0 45.7 385.0 8.2 386.0 34.5 387.0 9.6 388.0 22.9 389.0 4.4 390.0 4.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H20 N2 S4 Zn 0.035 g : 0.5 ml DMSO-d6 zinc 1-piperidinecarbodithioate 
Assign. Shift(ppm)
A 4.01 B 1.60
Hz ppm Int.1606.81 4.021 378 1601.44 4.008 617 640.14 1.602 1000
in DMSO-d6
KBr disc
nujol mull
