Benzocaine(94-09-7) 13C NMR
Product NameBenzocaine
CAS94-09-7
Molecular FormulaC9H11NO2
Molecular Weight165.19
InChIInChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
InChIKey BLFLLBZGZJTVJG-UHFFFAOYSA-N
SmilesC(OCC)(=O)C1=CC=C(N)C=C1
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MassMS-NW-3786 ethyl p-aminobenzoate C9H11NO2 (Mass of molecular ion: 165)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 2.9 28.0 1.2 29.0 2.4 38.0 1.6 39.0 6.1 41.0 1.8 45.0 1.5 52.0 1.7 60.0 1.0 63.0 2.7 64.0 2.4 65.0 17.2 66.0 2.6 91.0 2.3 92.0 21.7 93.0 4.4 108.0 1.5 120.0 100.0 121.0 11.4 137.0 14.5 138.0 1.2 150.0 1.4 165.0 42.8 166.0 4.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H11 N O2 0.043 g : 0.5 ml CDCl3 ethyl p-aminobenzoate 
Assign. Shift(ppm)
A 7.849 B 6.626 C 4.305 D 4.1 E 1.354
Hz ppm Int.709.94 7.927 72 707.50 7.900 350 705.56 7.879 117 703.06 7.851 46 702.75 7.847 47 700.81 7.826 153 700.69 7.824 153 698.75 7.803 384 696.25 7.775 54 599.81 6.698 82 597.38 6.671 500 595.31 6.648 146 592.38 6.615 43 592.00 6.611 44 590.63 6.595 154 588.56 6.572 401 586.06 6.544 59 396.88 4.432 136 393.75 4.397 41 389.63 4.351 431 387.19 4.324 45 386.75 4.319 47 386.19 4.313 49 382.50 4.271 450 380.63 4.251 42 379.88 4.242 41 379.06 4.233 42 375.50 4.193 182 369.00 4.121 105 128.13 1.431 468 125.88 1.406 50 125.50 1.402 46 124.63 1.392 52 124.13 1.386 57 121.06 1.352 1000 119.00 1.329 63 118.63 1.325 62 118.19 1.320 53 116.38 1.300 51 113.94 1.273 416
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
OXIDATION WITH PERBENZOIC ACID IN DIOXANE
OXIDATION WITH PBA IN ETHANOL
