2-METHYL-2-(1-METHYLPROPYL)-1,3-PROPANEDIOL DICARBAMATE(64-55-1) IR2
Product Name2-METHYL-2-(1-METHYLPROPYL)-1,3-PROPANEDIOL DICARBAMATE
CAS64-55-1
Molecular FormulaC10H20N2O4
Molecular Weight232.28
InChIInChI=1S/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)
InChIKey LEROTMJVBFSIMP-UHFFFAOYSA-N
SmilesC(OC(=O)N)C(C)(C(C)CC)COC(=O)N
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MassMS-IW-4009 2-sec-butyl-2-methyltrimethylene dicarbamate C10H20N2O4 (Mass of molecular ion: 232)
Source Temperature: 170 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 1.2 17.0 2.4 18.0 13.7 27.0 6.0 28.0 4.2 29.0 19.3 30.0 1.3 31.0 8.3 39.0 6.5 40.0 1.2 41.0 42.4 42.0 8.6 43.0 57.8 44.0 14.0 45.0 9.0 46.0 1.9 53.0 4.2 54.0 4.2 55.0 82.6 56.0 15.3 57.0 43.2 58.0 5.0 59.0 15.2 62.0 32.7 67.0 5.6 68.0 3.6 69.0 56.8 70.0 40.1 71.0 46.7 72.0 56.4 73.0 16.2 74.0 1.4 75.0 16.5 76.0 1.0 79.0 1.8 81.0 7.4 82.0 3.8 83.0 16.8 84.0 9.1 85.0 6.3 89.0 1.4 92.0 2.7 95.0 14.6 96.0 2.3 97.0 100.0 98.0 57.7 99.0 9.4 100.0 3.1 110.0 17.8 111.0 2.5 113.0 1.1 114.0 3.7 115.0 15.1 116.0 3.0 128.0 7.3 132.0 2.2 135.0 1.2 158.0 17.6 159.0 1.7 175.0 2.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H20 N2 O4 0.045 g : 0.5 ml CDCl3 2-sec-butyl-2-methyltrimethylene dicarbamate 
Assign. Shift(ppm)
A 5.2 B *1 4.004 C *1 3.986 D *1 3.983 E *1 3.946 F 1.539 G 1.425 J 0.97 K 0.904 L 0.866 M 0.822 ASSIGNED BY H-H COSY.
Hz ppm Int.2079.96 5.205 33 1609.13 4.027 55 1600.34 4.005 120 1598.39 4.000 256 1593.99 3.989 248 1589.48 3.978 243 1583.13 3.962 66 1579.96 3.954 226 1569.21 3.927 85 569.95 1.427 38 566.28 1.417 31 397.34 0.995 31 391.11 0.979 31 386.60 0.968 32 384.28 0.962 32 373.90 0.936 36 367.31 0.920 225 360.35 0.902 299 353.27 0.884 128 352.05 0.881 96 349.49 0.875 398 342.65 0.858 372 328.49 0.822 1000
in CDCl3
KBr disc
nujol mull
