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
Mass
MS2017-05454CM 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
1H NMR | 89.56 MHz |
C7 H7 N O2 | 0.042 g : 0.5 ml DMSO-d6 |
anthranilic acid |
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Assign. Shift(ppm) |
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
in DMSO-d6
CCl4 solution
OXIDATION WITH PERBENZOIC ACID IN DIOXANE
OXIDATION WITH PBA IN ETHANOL
Anthranilic acid(118-92-3) IR3 Atlas of Related Products
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