Tetracaine hydrochloride(136-47-0) 13C NMR
Product NameTetracaine hydrochloride
CAS136-47-0
Molecular FormulaC15H25ClN2O2
Molecular Weight300.82
InChIInChI=1S/C15H24N2O2.ClH/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;/h6-9,16H,4-5,10-12H2,1-3H3;1H
InChIKey PPWHTZKZQNXVAE-UHFFFAOYSA-N
SmilesC1(C=CC(NCCCC)=CC=1)C(=O)OCCN(C)C.Cl
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MassMS-IW-9302 2-(dimethylamino)ethyl p-(butylamino)benzoate monohydrochloride C15H24N2O2 HCl (Mass of molecular ion: 264)
Source Temperature: 150 °C Sample Temperature: 130 °C Direct, 75 eV
28.0 1.5 29.0 1.9 30.0 1.9 36.0 6.8 38.0 2.2 41.0 1.3 42.0 3.0 43.0 2.2 44.0 1.3 56.0 2.4 57.0 1.4 58.0 100.0 59.0 3.6 65.0 1.7 70.0 1.0 71.0 76.6 72.0 8.0 77.0 1.1 92.0 3.3 104.0 1.2 105.0 4.2 106.0 1.2 120.0 1.0 150.0 7.0 176.0 8.5 177.0 1.1 193.0 4.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C15 H24 N2 O2 0.041 g : 0.5 ml DMSO-d6 2-(dimethylamino)ethyl p-(butylamino)benzoate monohydrochloride 
Assign. Shift(ppm)
A *1 11.2 B 7.794 C *1 6.71 D 6.605 E 4.535 F 3.482 J 3.067 K 2.832 L 1.537 M 1.375 N 0.909
Hz ppm Int.3119.35 7.806 173 3110.50 7.784 182 2683.72 6.716 35 2644.20 6.617 162 2635.35 6.595 156 1817.63 4.549 74 1812.74 4.536 90 1807.56 4.523 76 1396.64 3.495 69 1391.75 3.483 86 1386.57 3.470 68 1234.74 3.090 30 1228.03 3.073 64 1223.75 3.063 64 1216.89 3.045 32 1132.05 2.833 1000 622.25 1.557 52 614.78 1.539 81 612.49 1.533 49 607.60 1.521 63 561.07 1.404 52 553.44 1.385 78 545.81 1.366 76 538.64 1.348 43 370.64 0.928 194 363.31 0.910 390 355.99 0.891 166
in DMSO-d6
KBr disk
nujol mull
