N-PROPYL 4-AMINOBENZOATE(94-12-2) IR3
Product NameN-PROPYL 4-AMINOBENZOATE
CAS94-12-2
Molecular FormulaC10H13NO2
Molecular Weight179.22
InChIInChI=1S/C10H13NO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H3
InChIKey NBFQYHKHPBMJJV-UHFFFAOYSA-N
SmilesC(OCCC)(=O)C1=CC=C(N)C=C1
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MassMS-NW-2075 propyl p-aminobenzoate C10H13NO2 (Mass of molecular ion: 179)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.3 27.0 4.2 28.0 1.9 38.0 1.2 39.0 6.5 41.0 4.3 42.0 1.0 43.0 1.4 52.0 1.3 63.0 2.0 64.0 2.3 65.0 17.4 66.0 2.4 91.0 2.2 92.0 20.0 93.0 3.4 108.0 1.3 120.0 100.0 121.0 10.1 137.0 53.1 138.0 4.5 150.0 1.5 162.0 1.1 179.0 30.6 180.0 3.4
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C10 H13 N O2 0.039 g : 0.5 ml CDCl3 propyl p-aminobenzoate 
Assign. Shift(ppm)
A 7.857 B 6.631 C 4.217 D 4.12 E 1.756 F 1.007
Hz ppm Int.3147.09 7.875 74 3144.65 7.869 473 3142.58 7.864 151 3140.26 7.858 30 3137.94 7.852 164 3135.86 7.847 481 3133.42 7.841 58 2656.86 6.648 80 2654.30 6.642 532 2652.34 6.637 165 2647.58 6.625 173 2645.51 6.620 500 2643.07 6.614 61 1691.89 4.234 365 1685.30 4.217 717 1678.59 4.201 372 1646.61 4.121 135 719.48 1.801 40 712.77 1.784 104 712.04 1.782 144 705.32 1.765 286 697.88 1.747 290 691.16 1.730 148 683.84 1.712 45 409.67 1.026 527 406.49 1.018 33 402.34 1.007 1000 394.90 0.989 474
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1H NMR 89.56 MHz C10 H13 N O2 0.039 g : 0.5 ml CDCl3 propyl p-aminobenzoate Assign. Shift(ppm)
A 7.85 B 6.63 C 4.215 D 4.04 E 1.75 F 1.01
Hz ppm Int.710.19 7.930 74 707.75 7.903 723 705.69 7.880 225 701.00 7.828 231 698.94 7.805 820 696.50 7.777 108 600.00 6.700 91 597.56 6.673 845 595.50 6.650 236 590.81 6.597 207 588.75 6.574 684 586.25 6.546 83 384.31 4.292 461 377.69 4.218 1000 373.75 4.174 40 371.13 4.144 537 368.63 4.117 65 368.13 4.111 66 362.13 4.044 186 354.19 3.955 41 169.25 1.890 33 167.63 1.872 71 162.63 1.816 39 161.19 1.800 128 154.69 1.728 97 153.69 1.717 162 146.94 1.641 100 97.06 1.084 270 90.13 1.007 508 89.50 1.000 313 82.44 0.921 159 81.50 0.911 88
in CDCl3
CCl4 solution
KBr disc
nujol mull
