BENZOYL-GLYCYL-GLYCINE(1145-32-0) IR1
Product NameBENZOYL-GLYCYL-GLYCINE
CAS1145-32-0
Molecular FormulaC11H12N2O4
Molecular Weight236.22
InChIInChI=1S/C11H12N2O4/c14-9(12-7-10(15)16)6-13-11(17)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)(H,13,17)(H,15,16)
InChIKey FWYPSSZPXQVFRB-UHFFFAOYSA-N
SmilesC(O)(=O)CNC(=O)CNC(=O)C1=CC=CC=C1
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MassMS-NW-2487 N-benzoylglycylglycine C11H12N2O4 (Mass of molecular ion: 236)
Source Temperature: 220 °C Sample Temperature: 240 °C Direct, 75 eV
17.0 2.4 18.0 12.6 27.0 2.1 28.0 9.6 29.0 1.1 30.0 9.7 39.0 1.4 42.0 1.7 44.0 4.6 50.0 3.9 51.0 11.8 52.0 1.2 56.0 2.1 71.0 2.7 74.0 1.5 75.0 1.3 76.0 3.7 77.0 39.0 78.0 3.5 89.0 1.2 90.0 1.0 103.0 3.5 104.0 2.9 105.0 100.0 106.0 8.2 116.0 1.1 117.0 12.6 118.0 3.8 134.0 22.1 135.0 30.6 136.0 2.7 161.0 5.2 162.0 3.5 172.0 2.0 173.0 1.1 174.0 1.1 190.0 1.6 218.0 4.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C11 H12 N2 O4 0.040 g : 0.5 ml DMSO-d6 N-benzoylglycylglycine 
Assign. Shift(ppm)
A 12.59 B 8.80 C 8.24 D 7.909 E 7.543 F 7.486 G 3.934 J 3.793 J(B,G)=6.1HZ J(C,J)=5.9HZ
Hz ppm Int.5030.85 12.589 136 3523.94 8.818 170 3517.90 8.803 356 3512.03 8.788 176 3298.83 8.255 170 3293.15 8.241 351 3287.29 8.226 176 3167.50 7.926 103 3165.48 7.921 591 3164.38 7.918 806 3162.92 7.915 422 3159.44 7.906 246 3157.42 7.901 944 3155.78 7.897 712 3025.54 7.571 73 3024.26 7.568 141 3022.98 7.565 96 3019.50 7.556 111 3016.94 7.549 490 3014.55 7.543 157 3011.07 7.535 257 3009.61 7.531 433 3008.33 7.528 244 2998.07 7.502 703 2996.79 7.499 343 2992.02 7.487 489 2990.56 7.483 926 2985.06 7.470 157 2983.42 7.466 373 2982.13 7.462 236 1575.60 3.943 915 1569.55 3.928 921 1519.00 3.801 992 1513.14 3.787 1000
in DMSO-d6
KBr disc
4880 A,200 M,powder
