CHLORPROPAMIDE(94-20-2) 1H NMR
Product NameCHLORPROPAMIDE
CAS94-20-2
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.74
InChIInChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)
InChIKey RKWGIWYCVPQPMF-UHFFFAOYSA-N
SmilesC1(S(NC(NCCC)=O)(=O)=O)=CC=C(Cl)C=C1
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MassMS-IW-2146 1-(p-chlorophenylsulfonyl)-3-propylurea C10H13ClN2O3S (Mass of molecular ion: 276)
Source Temperature: 130 °C Sample Temperature: 130 °C Direct, 75 eV
26.0 1.0 27.0 5.1 28.0 7.9 29.0 5.0 30.0 75.8 31.0 1.6 37.0 1.0 38.0 1.9 39.0 3.2 41.0 6.6 42.0 3.9 43.0 9.2 44.0 2.4 50.0 13.3 51.0 5.9 56.0 7.6 57.0 2.0 58.0 8.3 59.0 7.7 61.0 1.7 62.0 1.1 63.0 2.7 64.0 1.6 73.0 3.7 74.0 8.6 75.0 36.9 76.0 7.9 77.0 1.4 84.0 2.5 85.0 29.3 86.0 2.0 87.0 1.6 90.0 1.6 99.0 3.6 101.0 3.9 110.0 1.1 111.0 100.0 112.0 8.2 113.0 32.7 114.0 2.6 126.0 2.1 127.0 16.6 128.0 19.2 129.0 6.4 130.0 5.8 131.0 1.2 159.0 1.6 175.0 83.3 176.0 6.3 177.0 30.7 178.0 2.2 179.0 1.4 191.0 5.0 193.0 2.0 212.0 3.0 214.0 1.0 217.0 29.0 218.0 2.8 219.0 11.4 220.0 1.0 247.0 1.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H13 Cl N2 O3 S 0.044 g : 0.5 ml CDCl3 1-(p-chlorophenylsulfonyl)-3-propylurea 
Assign. Shift(ppm)
A 7.863 B 7.486 C 6.54 D 3.171 E 1.499 F 0.872 J(C,D)=5.6HZ
Hz ppm Int.3149.78 7.882 58 3147.34 7.876 470 3145.26 7.871 156 3140.50 7.859 159 3138.55 7.854 524 3135.99 7.847 78 2998.41 7.503 75 2995.97 7.497 599 2993.90 7.492 179 2989.14 7.480 165 2987.06 7.475 542 2984.62 7.469 72 2619.51 6.555 47 2614.01 6.541 86 2608.40 6.527 49 1277.59 3.197 96 1270.75 3.180 183 1264.28 3.164 181 1257.57 3.147 102 610.23 1.527 133 602.91 1.509 237 595.83 1.491 239 588.50 1.473 143 581.18 1.455 35 355.59 0.890 487 348.27 0.872 1000 343.63 0.860 33 340.82 0.853 438
in CDCl3
KBr disc
nujol mull
