ISOPROPYL 4-AMINOBENZOATE(18144-43-9) IR1
Product NameISOPROPYL 4-AMINOBENZOATE
CAS18144-43-9
Molecular FormulaC10H13NO2
Molecular Weight179.22
InChIInChI=1S/C10H13NO2/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7H,11H2,1-2H3
InChIKey JWCPZKNBPMSYND-UHFFFAOYSA-N
SmilesC(OC(C)C)(=O)C1=CC=C(N)C=C1
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MassMS-NW-3783 isopropyl p-aminobenzoate C10H13NO2 (Mass of molecular ion: 179)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.1 27.0 3.8 28.0 1.1 38.0 1.6 39.0 8.0 41.0 5.7 42.0 1.4 43.0 4.3 52.0 1.5 59.0 1.0 63.0 2.5 64.0 2.6 65.0 18.2 66.0 2.7 91.0 2.5 92.0 18.6 93.0 4.1 108.0 1.4 119.0 1.2 120.0 100.0 121.0 14.8 122.0 1.1 134.0 1.3 136.0 1.2 137.0 67.6 138.0 6.4 164.0 1.1 179.0 40.6 180.0 4.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H13 N O2 0.043 g : 0.5 ml CDCl3 isopropyl p-aminobenzoate 
Assign. Shift(ppm)
A 7.84 B 6.62 C 5.19 D 4. E 1.327
Hz ppm Int.706.81 7.893 154 704.88 7.871 52 700.13 7.818 51 698.06 7.795 179 695.56 7.767 29 596.75 6.664 112 595.00 6.644 47 590.00 6.588 38 588.06 6.567 97 585.69 6.540 23 471.56 5.266 57 465.31 5.196 78 459.13 5.127 59 452.81 5.056 25 122.06 1.363 1000 117.69 1.315 39 115.81 1.294 968
in CDCl3
CCl4 solution
KBr disc
nujol mull
