Anthranilic acid(118-92-3) MS
Product NameAnthranilic acid
CAS118-92-3
Molecular FormulaC7H7NO2
Molecular Weight137.14
InChIInChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKey RWZYAGGXGHYGMB-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=CC=C1N
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MassMS2017-05454CM anthranilic acid C7H7NO2 (Mass of molecular ion: 137)
Source Temperature: 245 °C Sample Temperature: 20 °C Direct, 70 eV
28.0 1.5 37.0 1.6 38.0 3.7 39.0 6.6 40.0 1.2 41.0 2.0 45.0 4.4 45.5 1.6 46.0 1.0 50.0 2.3 51.0 1.8 52.0 5.9 53.0 2.0 54.0 1.1 59.5 1.4 60.0 1.1 61.0 1.8 62.0 3.3 63.0 8.7 64.0 10.4 65.0 16.6 66.0 3.0 74.0 1.1 76.0 1.6 90.0 2.7 91.0 13.2 92.0 51.0 93.0 4.3 119.0 100.0 120.0 10.7 137.0 69.8 138.0 5.7
90 MHz in DMSO-d6
in DMSO-d6
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1H NMR 89.56 MHz C7 H7 N O2 0.042 g : 0.5 ml DMSO-d6 anthranilic acid 
Assign. Shift(ppm)
A 8.4 B 7.72 C 7.23 D 6.761 E 6.524 F 3.6 J(B,C)=1.6HZ. J(B,E)=8.0HZ. J(C,D)=8.3HZ. J(D,E)=1.3HZ.
Hz ppm Int.696.39 7.776 674 696.00 7.772 662 694.73 7.758 778 688.38 7.687 789 687.99 7.682 784 686.72 7.668 848 656.54 7.331 402 654.79 7.312 393 649.61 7.254 558 648.14 7.237 791 646.48 7.219 562 641.21 7.160 722 639.55 7.142 627 609.18 6.802 917 608.40 6.794 1000 600.88 6.710 677 600.00 6.700 618 591.60 6.606 686 590.33 6.592 540 584.67 6.529 676 583.59 6.517 926 582.42 6.504 518 576.76 6.440 489 575.49 6.426 405
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in DMSO-d6
CCl4 solution
OXIDATION WITH PERBENZOIC ACID IN DIOXANE
OXIDATION WITH PBA IN ETHANOL
