N-(N'-METHYL-N'-NITROSO(AMINOMETHYL))*BE NZAMIDE(59665-02-0) IR2
Product NameN-(N'-METHYL-N'-NITROSO(AMINOMETHYL))*BE NZAMIDE
CAS59665-02-0
Molecular FormulaC9H11N3O2
Molecular Weight193.2
InChIInChI=1S/C9H11N3O2/c1-12(11-14)7-10-9(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,13)
InChIKey ISJYDRMADFXOGD-UHFFFAOYSA-N
SmilesC(NCN(C)N=O)(=O)C1=CC=CC=C1
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MassMS-NW-6330 N-((methylnitrosoamino)methyl)benzamide C9H11N3O2 (Mass of molecular ion: 193)
Source Temperature: 160 °C Sample Temperature: 110 °C Direct, 75 eV
13.0 1.1 14.0 3.5 15.0 2.3 17.0 1.3 18.0 6.2 27.0 2.2 28.0 4.7 29.0 1.1 30.0 2.0 37.0 1.1 38.0 1.7 39.0 1.5 42.0 11.9 43.0 1.9 50.0 8.8 51.0 22.4 52.0 1.5 52.5 1.4 60.0 2.1 74.0 3.0 75.0 2.1 76.0 3.4 77.0 59.3 78.0 4.4 103.0 1.4 105.0 100.0 106.0 8.2 121.0 2.0 133.0 2.6 134.0 16.0 135.0 1.6
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C9 H11 N3 O2 0.053 g : 0.5 ml CDCl3 N-((methylnitrosoamino)methyl)benzamide 
Assign. Shift(ppm)
A 8.10 B *1 7.939 C *1 7.777 D 7.55 E 7.46 F *2 5.800 G *2 5.033 J *3 3.954 K *3 3.133 90MHZ : HSP-03-084
Hz ppm Int.3238.65 8.104 34 3177.12 7.950 123 3176.03 7.948 140 3170.90 7.935 49 3168.95 7.930 168 3167.48 7.926 128 3024.17 7.568 36 3016.97 7.550 91 3014.89 7.544 32 3010.62 7.534 46 3009.40 7.531 75 3008.06 7.527 43 2989.38 7.480 31 2987.55 7.476 120 2986.21 7.473 56 2981.08 7.460 100 2979.86 7.457 174 2974.24 7.443 36 2972.66 7.439 74 2971.80 7.437 49 2321.17 5.809 268 2314.45 5.792 261 1580.20 3.954 50 1251.59 3.132 1000
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1H NMR 89.56 MHz C9 H11 N3 O2 0.046 g : 0.5 ml CDCl3 N-((methylnitrosoamino)methyl)benzamide Assign. Shift(ppm)
A 8.13 B *1 7.93 C *1 7.78 D 7.57 to 7.36 E 5.795 F 5.030 G 3.939 J 3.120 400MHZ : HSP-41-739
Hz ppm Int.715.06 7.985 74 713.38 7.966 80 711.56 7.946 40 710.56 7.934 33 709.75 7.925 32 707.81 7.904 63 706.63 7.891 33 705.44 7.877 103 676.19 7.551 35 674.38 7.530 32 672.94 7.514 79 671.88 7.503 147 670.94 7.492 137 669.63 7.477 88 668.56 7.465 81 666.13 7.438 49 665.06 7.426 50 664.44 7.419 70 664.06 7.415 66 522.25 5.832 184 515.56 5.757 173 453.81 5.068 46 447.19 4.994 44 352.81 3.940 217 279.50 3.121 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
