Dicyclomine hydrochloride(67-92-5) MS
Product NameDicyclomine hydrochloride
CAS67-92-5
Molecular FormulaC19H36ClNO2
Molecular Weight345.95
InChIInChI=1S/C19H35NO2.ClH/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17;/h17H,3-16H2,1-2H3;1H
InChIKey GUBNMFJOJGDCEL-UHFFFAOYSA-N
SmilesC1(CCCCC1)(C(=O)OCCN(CC)CC)C1CCCCC1.Cl
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MassMS-IW-3279 2-(diethylamino)ethyl bicyclohexyl-1-carboxylate hydrochloride C19H35NO2 HCl (Mass of molecular ion: 309)
Source Temperature: 150 °C Sample Temperature: 110 °C Direct, 75 eV
28.0 1.0 29.0 1.5 30.0 1.8 36.0 3.0 38.0 1.0 41.0 2.8 42.0 1.3 44.0 3.3 55.0 4.6 56.0 1.8 58.0 3.4 67.0 1.3 70.0 1.0 71.0 4.1 72.0 2.2 81.0 1.6 83.0 3.0 84.0 1.6 86.0 100.0 87.0 6.3 99.0 26.3 100.0 7.0 165.0 1.1 237.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C19 H35 N O2 0.038 g : 0.5 ml CDCl3 2-(diethylamino)ethyl bicyclohexyl-1-carboxylate hydrochloride 
Assign. Shift(ppm)
A 12.6 B 4.615 C 3.348 D 3.216 E 2.01 F 1.77 G 1.68 to 1.59 J 1.470 K 1.33 L 1.27 N 1.17 P 1.08 R 0.945 ASSIGNED BY H-H AND C-H COSY.
Hz ppm Int.1850.53 4.631 136 1844.85 4.617 199 1839.36 4.603 150 1343.89 3.363 101 1338.21 3.349 161 1332.72 3.335 104 1295.35 3.242 58 1294.99 3.241 58 1288.76 3.225 144 1281.98 3.208 152 1275.57 3.192 69 809.23 2.025 67 807.21 2.020 65 806.67 2.019 65 796.41 1.993 103 713.80 1.787 68 711.24 1.780 60 700.98 1.754 83 665.26 1.665 134 662.15 1.657 118 652.99 1.634 184 651.52 1.631 176 639.07 1.600 46 594.74 1.489 478 587.60 1.471 1000 580.27 1.452 469 535.58 1.341 36 532.83 1.334 61 529.90 1.326 38 520.74 1.303 67 518.18 1.297 50 507.00 1.269 79 497.48 1.245 109 486.86 1.219 81 474.22 1.187 122 463.96 1.161 102 461.03 1.154 119 448.21 1.122 87 438.68 1.098 30 435.57 1.090 45 393.08 0.984 34 383.18 0.959 68 380.62 0.953 78 370.91 0.929 59 368.35 0.922 63
in CDCl3
KBr disc
nujol mull
